1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone

C10H12O3 — CID 4689851

IUPAC1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CO
InChIInChI=1S/C10H12O3/c1-7(12)8-3-4-10(13-2)9(5-8)6-11/h3-5,11H,6H2,1-2H3
InChIKeyXAQOWKKOGGBPBU-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.39
Rot. Bonds3

About 1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone

1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone (PubChem CID 4689851) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
PubChem CID4689851
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CO
InChIInChI=1S/C10H12O3/c1-7(12)8-3-4-10(13-2)9(5-8)6-11/h3-5,11H,6H2,1-2H3
InChIKeyXAQOWKKOGGBPBU-UHFFFAOYSA-N
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
(5-acetyl-2-methoxyphenyl)methyl-diethylazanium
CID 6943942
1-[3-(ethylsulfanylmethyl)-4-methoxyphenyl]ethanone
CID 43789568
(5-acetyl-2-methoxyphenyl)methyl thiocyanate
CID 2803530
2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923869
1-[3-(3-hydroxypropylsulfanylmethyl)-4-methoxyphenyl]ethanone
CID 66114297
1-[4-methoxy-3-(propylsulfanylmethyl)phenyl]ethanone
CID 43789572
1-[3-(2,3-dihydroxypropylsulfanylmethyl)-4-methoxyphenyl]ethanone
CID 79682975
1-[3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60691475
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone (CID 4689851) is 1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)cc1CO.
What is the InChIKey of 1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone?
The InChIKey is XAQOWKKOGGBPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7(12)8-3-4-10(13-2)9(5-8)6-11/h3-5,11H,6H2,1-2H3.
What are the key properties of 1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone?
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone has a molecular weight of 180.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone is sourced from PubChem (CID 4689851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).