2-phenylethanol

C8H10O — CID 6054

IUPAC2-phenylethanol
SMILESOCCc1ccccc1
InChIInChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyWRMNZCZEMHIOCP-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.22
Rot. Bonds2

About 2-phenylethanol

2-phenylethanol (PubChem CID 6054) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-phenylethanol.

Molecular Properties

Compound Name2-phenylethanol
PubChem CID6054
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name2-phenylethanol
SMILESOCCc1ccccc1
InChIInChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyWRMNZCZEMHIOCP-UHFFFAOYSA-N
XLogP1.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl Alcohol
CID 244
1-Phenylethanol
CID 7409
Cuminol
CID 325
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
4-Methylbenzyl alcohol
CID 11505
Benzenepropanol
CID 31234
1-Phenyl-3-methyl-3-pentanol
CID 61516
Benzhydrol
CID 7037
2-Methyl-4-phenyl-2-butanol
CID 7632
1-Phenyl-1,2-ethanediol
CID 7149
2-Methyl-1-phenyl-2-propanol
CID 7531

Frequently Asked Questions

What is the IUPAC name of 2-phenylethanol?
The IUPAC name of 2-phenylethanol (CID 6054) is 2-phenylethanol.
What is the SMILES notation for 2-phenylethanol?
The canonical SMILES for 2-phenylethanol is OCCc1ccccc1.
What is the InChIKey of 2-phenylethanol?
The InChIKey is WRMNZCZEMHIOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 2-phenylethanol?
2-phenylethanol has a molecular weight of 122.17 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethanol is sourced from PubChem (CID 6054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).