2-hydroxy-1-(3-methoxyphenyl)ethanone

C9H10O3 — CID 23505111

IUPAC2-hydroxy-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CO)c1
InChIInChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5,10H,6H2,1H3
InChIKeyFPRVEQAYURPPAI-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.87
Rot. Bonds3

About 2-hydroxy-1-(3-methoxyphenyl)ethanone

2-hydroxy-1-(3-methoxyphenyl)ethanone (PubChem CID 23505111) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-hydroxy-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(3-methoxyphenyl)ethanone
PubChem CID23505111
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-hydroxy-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CO)c1
InChIInChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5,10H,6H2,1H3
InChIKeyFPRVEQAYURPPAI-UHFFFAOYSA-N
XLogP0.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone
CID 140768864
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
3-hydroxy-3-iodo-1-(3-methoxyphenyl)propan-1-one
CID 134358093
2-(ethylamino)-1-(3-methoxyphenyl)ethanone
CID 82101988
4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743
3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one
CID 116581079
2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone
CID 62050940
3-amino-1-(3-methoxyphenyl)-4-methylpentan-1-one
CID 116606296
N-[2-(3-methoxyphenyl)-2-oxoethyl]formamide
CID 87584613
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-hydroxy-1-(3-methoxyphenyl)ethanone (CID 23505111) is 2-hydroxy-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-hydroxy-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)CO)c1.
What is the InChIKey of 2-hydroxy-1-(3-methoxyphenyl)ethanone?
The InChIKey is FPRVEQAYURPPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5,10H,6H2,1H3.
What are the key properties of 2-hydroxy-1-(3-methoxyphenyl)ethanone?
2-hydroxy-1-(3-methoxyphenyl)ethanone has a molecular weight of 166.18 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 23505111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).