1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone

C9H10O3 — CID 90368486

IUPAC1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(CO)c(O)c1
InChIInChI=1S/C9H10O3/c1-6(11)7-2-3-8(5-10)9(12)4-7/h2-4,10,12H,5H2,1H3
InChIKeyZSWJDJRLDUWAIU-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.09
Rot. Bonds2

About 1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone

1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone (PubChem CID 90368486) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone
PubChem CID90368486
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(CO)c(O)c1
InChIInChI=1S/C9H10O3/c1-6(11)7-2-3-8(5-10)9(12)4-7/h2-4,10,12H,5H2,1H3
InChIKeyZSWJDJRLDUWAIU-UHFFFAOYSA-N
XLogP1.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide
CID 162349141
1-[4-bromo-3-(hydroxymethyl)phenyl]ethanone
CID 118573514
1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone
CID 130130966
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
(5-acetyl-2-hydroxyphenyl)astatine
CID 177043145
1-(3-hydroxy-4-methylsulfonylphenyl)ethanone
CID 47003472
2-(4-acetyl-2-aminophenyl)acetic acid
CID 23106782
2-(4-acetyl-2-chlorophenyl)acetic acid
CID 23106770
1-[4-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]phenyl]ethanone
CID 43788355
1-(3-methyl-4-propylphenyl)ethanone
CID 118119464
1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone
CID 62052414
(2S)-2-acetamido-2-[3-hydroxy-4-(hydroxymethyl)phenyl]acetic acid
CID 96586653

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone?
The IUPAC name of 1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone (CID 90368486) is 1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone is CC(=O)c1ccc(CO)c(O)c1.
What is the InChIKey of 1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone?
The InChIKey is ZSWJDJRLDUWAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-6(11)7-2-3-8(5-10)9(12)4-7/h2-4,10,12H,5H2,1H3.
What are the key properties of 1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone?
1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone has a molecular weight of 166.18 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone is sourced from PubChem (CID 90368486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).