phenylmethanol

C7H8O — CID 244

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IUPACphenylmethanol
SMILESOCc1ccccc1
InChIInChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyWVDDGKGOMKODPV-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.18
Rot. Bonds1

About phenylmethanol

phenylmethanol (PubChem CID 244) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is phenylmethanol.

Molecular Properties

Compound Namephenylmethanol
PubChem CID244
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Namephenylmethanol
SMILESOCc1ccccc1
InChIInChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyWVDDGKGOMKODPV-UHFFFAOYSA-N
XLogP1.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Phenyl-2-propanol
CID 12053
2-Phenylethanol
CID 6054
Cinnamyl Alcohol
CID 5315892
1-Phenylethanol
CID 7409
Cuminol
CID 325
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
4-Methylbenzyl alcohol
CID 11505
Benzenepropanol
CID 31234
Mandelonitrile
CID 10758
Benzhydrol
CID 7037
1-Phenyl-1,2-ethanediol
CID 7149

Frequently Asked Questions

What is the IUPAC name of phenylmethanol?
The IUPAC name of phenylmethanol (CID 244) is phenylmethanol.
What is the SMILES notation for phenylmethanol?
The canonical SMILES for phenylmethanol is OCc1ccccc1.
What is the InChIKey of phenylmethanol?
The InChIKey is WVDDGKGOMKODPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of phenylmethanol?
phenylmethanol has a molecular weight of 108.14 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanol is sourced from PubChem (CID 244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).