1-[3-(hydroxymethyl)phenyl]ethanone

C9H10O2 — CID 14995218

IUPAC1-[3-(hydroxymethyl)phenyl]ethanone
SMILESCC(=O)c1cccc(CO)c1
InChIInChI=1S/C9H10O2/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5,10H,6H2,1H3
InChIKeyHVDBVWZKUQYGPL-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.38
Rot. Bonds2

About 1-[3-(hydroxymethyl)phenyl]ethanone

1-[3-(hydroxymethyl)phenyl]ethanone (PubChem CID 14995218) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)phenyl]ethanone
PubChem CID14995218
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1-[3-(hydroxymethyl)phenyl]ethanone
SMILESCC(=O)c1cccc(CO)c1
InChIInChI=1S/C9H10O2/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5,10H,6H2,1H3
InChIKeyHVDBVWZKUQYGPL-UHFFFAOYSA-N
XLogP1.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)phenyl]ethanone?
The IUPAC name of 1-[3-(hydroxymethyl)phenyl]ethanone (CID 14995218) is 1-[3-(hydroxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)phenyl]ethanone is CC(=O)c1cccc(CO)c1.
What is the InChIKey of 1-[3-(hydroxymethyl)phenyl]ethanone?
The InChIKey is HVDBVWZKUQYGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5,10H,6H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)phenyl]ethanone?
1-[3-(hydroxymethyl)phenyl]ethanone has a molecular weight of 150.18 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)phenyl]ethanone is sourced from PubChem (CID 14995218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).