(2,2-dimethoxyethyl)(diphenyl)phosphane

CAS Number: 24744-62-5
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COC(CP(c1ccccc1)c1ccccc1)OC
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: low
Formula
C16H19O2P
Molecular Weight
274.299
Drug-likeness
-25.652
CAS
24744-62-5
InChI key
UOHLNFHWHICOPG-UHFFFAOYSA-N
SMILES
COC(CP(c1ccccc1)c1ccccc1)OC
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: low | Reproductive effective: none
PropertyValue
CAS Number 24744-62-5
Molecule Name (2,2-dimethoxyethyl)(diphenyl)phosphane
Molecular Formula C16H19O2P
SMILES COC(CP(c1ccccc1)c1ccccc1)OC
InChI InChI=1S/C16H19O2P/c1-17-16(18-2)13-19(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
InChI Key UOHLNFHWHICOPG-UHFFFAOYSA-N
CanonicalSyTyLFy e4c01a09ddbedb2
TotalMolweight 274.299
Molecular Weight 274.299
MonoisotopicMass 274.112267
CLogP 3.1821
CLogS -3.771
H Acceptors 2
TotalSurfaceArea 210.55
Relative PSA 0.094989
PolarSurfaceArea 32.05
Drug-likeness -25.652
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant low
Shape Index 0.47368
Molecula Flexibility 0.56462
Molecular Complexity 0.57248
Fragments 1
Non HAtoms 19
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 6
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 7
Symmetricatoms 10

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