1-phenylethanol

C8H10O — CID 7409

IUPAC1-phenylethanol
SMILESCC(O)c1ccccc1
InChIInChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKeyWAPNOHKVXSQRPX-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.74
Rot. Bonds1

About 1-phenylethanol

1-phenylethanol (PubChem CID 7409) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-phenylethanol.

Molecular Properties

Compound Name1-phenylethanol
PubChem CID7409
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name1-phenylethanol
SMILESCC(O)c1ccccc1
InChIInChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKeyWAPNOHKVXSQRPX-UHFFFAOYSA-N
XLogP1.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl Alcohol
CID 244
2-Phenyl-2-propanol
CID 12053
2-Phenylethanol
CID 6054
Tyrosol
CID 10393
Styrene Oxide
CID 7276
Cumene Hydroperoxide
CID 6629
Cuminol
CID 325
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
4-Methylbenzyl alcohol
CID 11505
Benzenepropanol
CID 31234
Mandelonitrile
CID 10758

Frequently Asked Questions

What is the IUPAC name of 1-phenylethanol?
The IUPAC name of 1-phenylethanol (CID 7409) is 1-phenylethanol.
What is the SMILES notation for 1-phenylethanol?
The canonical SMILES for 1-phenylethanol is CC(O)c1ccccc1.
What is the InChIKey of 1-phenylethanol?
The InChIKey is WAPNOHKVXSQRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3.
What are the key properties of 1-phenylethanol?
1-phenylethanol has a molecular weight of 122.17 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethanol is sourced from PubChem (CID 7409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).