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Chem 2 Phenoxyethanol 2lab | Cheminformatics

2-Phenoxyethanol


  • SKU Code: CH138058
Chemical Name - 2-Phenoxyethanol
Mol Weight - 138.165
Smiles - OCCOc1ccccc1
Property Name Property Value
Mol Name2-Phenoxyethanol
Molweight138.165
Monoisotopic Mass138.06808
Clogp1.0692
Clogs-1.427
H Acceptors2
H Donors1
Total Surface Area117.13
Relative Psa0.19722
Polar Surface Area29.46
Druglikeness-2.5482
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.8
Molecular Flexibility0.49522
Molecular Complexity0.49698
Fragments1
Non H Atoms10
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds3
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms4
Symmetric Atoms2
SmilesOCCOc1ccccc1
InChIKeyInChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIQCDWFXQBSFUVSP-UHFFFAOYSA-N

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1 - 2-Phenoxyethanol
2 - 2-Phenoxyethanol
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