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66284 46 6 | Cheminformatics

Chemical : (2,4-dimethoxyphenyl)-diphenylmethanol

Casrn : 66284-46-6

MolName : (2,4-dimethoxyphenyl)-diphenylmethanol

MolecularFormula : C21H20O3

Smiles : COc1cc(OC)c(C(c2ccccc2)(c2ccccc2)O)cc1

InChI : InChI=1S/C21H20O3/c1-23-18-13-14-19(20(15-18)24-2)21(22,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,22H,1-2H3

InChIK : LDHMGEJSLCOOEK-UHFFFAOYSA-N

CanonicalSyTyLFy : 54796a30ccc6de0b

TotalMolweight : 320.387

Molweight : 320.387

MonoisotopicMass : 320.141245

CLogP : 3.5849

CLogS : -3.194

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 254.06

Relative PSA : 0.13028

PolarSurfaceArea : 38.69

Druglikeness : -0.66385

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.45833

Molecula Flexibility : 0.45476

Molecular Complexity : 0.78935

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 6

Symmetricatoms : 8

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
10003-67-5nonenonenoneC33H62O6554.849-22.973
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
100031-92-3nonenonehighC10H30OSi4278.691-53.619
10001-08-8nonenonehighC11H22N2O198.309-3.1037
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100007-62-3nonenonehighC8H13NO139.197-8.1398
017257-81-7nonenonenoneC6H10O2114.1430.9106
100-52-7highhighhighC7H6O106.124-4.225
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
10001-30-6nonenonenoneC17H14O4282.294-0.8408
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
100017-22-9highhighhighC5H8O2100.117-8.1063
100-93-6highhighhighC19H18N2O2S338.43-12.848
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
100021-05-4nonenonenoneC21H28O2312.4510.95307
100-12-9nonenonenoneC8H9NO2151.164-7.7443
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
1000-83-5lowhighhighC2H6N2OS106.149-2.264
100-99-2nonenonelowC12H27Al198.328-22.009
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
100-10-7nonehighhighC9H11NO149.192-1.8715
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
100-21-0highnonehighC8H6O4166.132-1.8442
1000269-67-9nonenonenoneC13H22N4234.3460.99367
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907
1000-91-5nonenonehighC5H14OSi118.251-35.679
100-61-8highnonenoneC7H9N107.155-0.23765
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
100004-92-0nonenonenoneC16H11NO2249.268-1.5746
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
1000-82-4lowhighhighC2H6N2O290.08160.41759
10-35-5nonenonenoneC4H6O2BrF184.992-23.473
100-53-8nonehighhighC7H8S124.207-6.3177
100-81-2nonenonenoneC8H11N121.182-2.1005
100-27-6lownonenoneC8H9NO3167.163-9.2735
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
1000018-23-4nonenonenoneC12H17N3O3251.2852.8124
100-22-1highhighnoneC10H16N2164.2510.40939
100021-46-3nonenonenoneC9H11NO2165.191-3.1955
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263
10-31-2001nonenonenoneC21H28NO6P421.428-10.542
100-73-2highnonenoneC6H8O2112.128-6.3422
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
1000284-35-4nonenonehighC16H24O4280.363-11.936
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
1000269-71-5nonenonehighC12H18N2O2222.287-10.925