2-(3-acetyl-2-methoxyphenyl)acetic acid

C11H12O4 — CID 175626652

IUPAC2-(3-acetyl-2-methoxyphenyl)acetic acid
SMILESCOc1c(CC(=O)O)cccc1C(C)=O
InChIInChI=1S/C11H12O4/c1-7(12)9-5-3-4-8(6-10(13)14)11(9)15-2/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyANRSUAIELIITGS-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.52
Rot. Bonds4

About 2-(3-acetyl-2-methoxyphenyl)acetic acid

2-(3-acetyl-2-methoxyphenyl)acetic acid (PubChem CID 175626652) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(3-acetyl-2-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-acetyl-2-methoxyphenyl)acetic acid
PubChem CID175626652
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-(3-acetyl-2-methoxyphenyl)acetic acid
SMILESCOc1c(CC(=O)O)cccc1C(C)=O
InChIInChI=1S/C11H12O4/c1-7(12)9-5-3-4-8(6-10(13)14)11(9)15-2/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyANRSUAIELIITGS-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-(fluoromethyl)-2-methoxyphenyl]ethanone
CID 84658415
2-[2-methoxy-3-(methoxymethyl)phenyl]acetic acid
CID 83884874
2-(3-tert-butyl-2-methoxyphenyl)acetic acid
CID 21199434
2-[3-(hydroxymethyl)-2-methoxyphenyl]-2-oxoacetic acid
CID 117299870
3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride
CID 140688179
3-acetyl-2-methoxybenzaldehyde
CID 148697874
2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid
CID 170997113
2-(8-acetylnaphthalen-2-yl)acetic acid;hydrochloride
CID 67842535
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
2-(2-acetyl-6-fluorophenyl)acetic acid
CID 121231894
2-methoxy-3-pentylbenzoic acid
CID 67238338
methyl 3-(chloromethyl)-2-methoxybenzoate
CID 22615935

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2-methoxyphenyl)acetic acid?
The IUPAC name of 2-(3-acetyl-2-methoxyphenyl)acetic acid (CID 175626652) is 2-(3-acetyl-2-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-acetyl-2-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-acetyl-2-methoxyphenyl)acetic acid is COc1c(CC(=O)O)cccc1C(C)=O.
What is the InChIKey of 2-(3-acetyl-2-methoxyphenyl)acetic acid?
The InChIKey is ANRSUAIELIITGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-7(12)9-5-3-4-8(6-10(13)14)11(9)15-2/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-acetyl-2-methoxyphenyl)acetic acid?
2-(3-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-(3-acetyl-2-methoxyphenyl)acetic acid is sourced from PubChem (CID 175626652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).