1-[2-(hydroxymethyl)phenyl]ethanol

C9H12O2 — CID 576911

IUPAC1-[2-(hydroxymethyl)phenyl]ethanol
SMILESCC(O)c1ccccc1CO
InChIInChI=1S/C9H12O2/c1-7(11)9-5-3-2-4-8(9)6-10/h2-5,7,10-11H,6H2,1H3
InChIKeyXVKYPJPUAOOGBQ-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.23
Rot. Bonds2

About 1-[2-(hydroxymethyl)phenyl]ethanol

1-[2-(hydroxymethyl)phenyl]ethanol (PubChem CID 576911) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)phenyl]ethanol
PubChem CID576911
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-[2-(hydroxymethyl)phenyl]ethanol
SMILESCC(O)c1ccccc1CO
InChIInChI=1S/C9H12O2/c1-7(11)9-5-3-2-4-8(9)6-10/h2-5,7,10-11H,6H2,1H3
InChIKeyXVKYPJPUAOOGBQ-UHFFFAOYSA-N
XLogP1.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)phenyl]ethanol?
The IUPAC name of 1-[2-(hydroxymethyl)phenyl]ethanol (CID 576911) is 1-[2-(hydroxymethyl)phenyl]ethanol.
What is the SMILES notation for 1-[2-(hydroxymethyl)phenyl]ethanol?
The canonical SMILES for 1-[2-(hydroxymethyl)phenyl]ethanol is CC(O)c1ccccc1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)phenyl]ethanol?
The InChIKey is XVKYPJPUAOOGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7(11)9-5-3-2-4-8(9)6-10/h2-5,7,10-11H,6H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)phenyl]ethanol?
1-[2-(hydroxymethyl)phenyl]ethanol has a molecular weight of 152.19 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)phenyl]ethanol is sourced from PubChem (CID 576911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).