1-[3-(hydroxymethyl)-2-phenylphenyl]ethanol

C15H16O2 — CID 173050837

IUPAC1-[3-(hydroxymethyl)-2-phenylphenyl]ethanol
SMILESCC(O)c1cccc(CO)c1-c1ccccc1
InChIInChI=1S/C15H16O2/c1-11(17)14-9-5-8-13(10-16)15(14)12-6-3-2-4-7-12/h2-9,11,16-17H,10H2,1H3
InChIKeyINBVIFIHSABEQY-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.90
Rot. Bonds3

About 1-[3-(hydroxymethyl)-2-phenylphenyl]ethanol

1-[3-(hydroxymethyl)-2-phenylphenyl]ethanol (PubChem CID 173050837) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-2-phenylphenyl]ethanol.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-2-phenylphenyl]ethanol
PubChem CID173050837
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1-[3-(hydroxymethyl)-2-phenylphenyl]ethanol
SMILESCC(O)c1cccc(CO)c1-c1ccccc1
InChIInChI=1S/C15H16O2/c1-11(17)14-9-5-8-13(10-16)15(14)12-6-3-2-4-7-12/h2-9,11,16-17H,10H2,1H3
InChIKeyINBVIFIHSABEQY-UHFFFAOYSA-N
XLogP2.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-2-phenylphenyl]ethanol?
The IUPAC name of 1-[3-(hydroxymethyl)-2-phenylphenyl]ethanol (CID 173050837) is 1-[3-(hydroxymethyl)-2-phenylphenyl]ethanol.
What is the SMILES notation for 1-[3-(hydroxymethyl)-2-phenylphenyl]ethanol?
The canonical SMILES for 1-[3-(hydroxymethyl)-2-phenylphenyl]ethanol is CC(O)c1cccc(CO)c1-c1ccccc1.
What is the InChIKey of 1-[3-(hydroxymethyl)-2-phenylphenyl]ethanol?
The InChIKey is INBVIFIHSABEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-11(17)14-9-5-8-13(10-16)15(14)12-6-3-2-4-7-12/h2-9,11,16-17H,10H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)-2-phenylphenyl]ethanol?
1-[3-(hydroxymethyl)-2-phenylphenyl]ethanol has a molecular weight of 228.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-2-phenylphenyl]ethanol is sourced from PubChem (CID 173050837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).