2-(5-acetyl-2-methoxyphenyl)acetic acid

C11H12O4 — CID 2535148

IUPAC2-(5-acetyl-2-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(C)=O)cc1CC(=O)O
InChIInChI=1S/C11H12O4/c1-7(12)8-3-4-10(15-2)9(5-8)6-11(13)14/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyZIQLGQMVEOXQSY-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.52
Rot. Bonds4

About 2-(5-acetyl-2-methoxyphenyl)acetic acid

2-(5-acetyl-2-methoxyphenyl)acetic acid (PubChem CID 2535148) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)acetic acid
PubChem CID2535148
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-(5-acetyl-2-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(C)=O)cc1CC(=O)O
InChIInChI=1S/C11H12O4/c1-7(12)8-3-4-10(15-2)9(5-8)6-11(13)14/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyZIQLGQMVEOXQSY-UHFFFAOYSA-N
XLogP1.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072
(5-acetyl-2-methoxyphenyl)methyl-diethylazanium
CID 6943942
1-[3-(ethylsulfanylmethyl)-4-methoxyphenyl]ethanone
CID 43789568
2-[5-(2-bromopropanoyl)-2-methoxyphenyl]acetic acid
CID 18706103
(5-acetyl-2-methoxyphenyl)methyl thiocyanate
CID 2803530
2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923869
2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide
CID 134006092
(2S,3S)-2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 119194209
2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 119211962
1-[4-methoxy-3-(propylsulfanylmethyl)phenyl]ethanone
CID 43789572
3-[(5-acetyl-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid
CID 60839543

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)acetic acid?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)acetic acid (CID 2535148) is 2-(5-acetyl-2-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)acetic acid is COc1ccc(C(C)=O)cc1CC(=O)O.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)acetic acid?
The InChIKey is ZIQLGQMVEOXQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-7(12)8-3-4-10(15-2)9(5-8)6-11(13)14/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)acetic acid?
2-(5-acetyl-2-methoxyphenyl)acetic acid has a molecular weight of 208.21 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)acetic acid is sourced from PubChem (CID 2535148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).