2-(4-acetylphenoxy)-3-methylbenzoic acid

C16H14O4 — CID 61395933

IUPAC2-(4-acetylphenoxy)-3-methylbenzoic acid
SMILESCC(=O)c1ccc(Oc2c(C)cccc2C(=O)O)cc1
InChIInChI=1S/C16H14O4/c1-10-4-3-5-14(16(18)19)15(10)20-13-8-6-12(7-9-13)11(2)17/h3-9H,1-2H3,(H,18,19)
InChIKeyMEHHWBBWYYYMHN-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.69
Rot. Bonds4

About 2-(4-acetylphenoxy)-3-methylbenzoic acid

2-(4-acetylphenoxy)-3-methylbenzoic acid (PubChem CID 61395933) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-3-methylbenzoic acid.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-3-methylbenzoic acid
PubChem CID61395933
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-(4-acetylphenoxy)-3-methylbenzoic acid
SMILESCC(=O)c1ccc(Oc2c(C)cccc2C(=O)O)cc1
InChIInChI=1S/C16H14O4/c1-10-4-3-5-14(16(18)19)15(10)20-13-8-6-12(7-9-13)11(2)17/h3-9H,1-2H3,(H,18,19)
InChIKeyMEHHWBBWYYYMHN-UHFFFAOYSA-N
XLogP3.69
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(carboxymethyl)phenoxy]-3-methylbenzoic acid
CID 152525189
2-(4-butylphenoxy)-3-methylbenzoic acid
CID 107112600
(3-methyl-2-phenoxyphenyl)-phenylmethanone
CID 154260379
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
CID 175079027
CID 175079027
4-(4-acetylphenoxy)benzoic acid
CID 60723234
3-fluoro-2-(4-methylphenoxy)benzoic acid
CID 62650788
2-(4-acetylphenoxy)benzene-1,3-dicarbonitrile
CID 2806212
3-hydroxy-2-phenoxybenzoic acid
CID 53406644
2-acetyl-3-methylbenzoic acid
CID 23423450
1-(2-methylphenyl)ethanone;1-phenylethanone
CID 160893925
3-methyl-2-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 107112612

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-3-methylbenzoic acid?
The IUPAC name of 2-(4-acetylphenoxy)-3-methylbenzoic acid (CID 61395933) is 2-(4-acetylphenoxy)-3-methylbenzoic acid.
What is the SMILES notation for 2-(4-acetylphenoxy)-3-methylbenzoic acid?
The canonical SMILES for 2-(4-acetylphenoxy)-3-methylbenzoic acid is CC(=O)c1ccc(Oc2c(C)cccc2C(=O)O)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-3-methylbenzoic acid?
The InChIKey is MEHHWBBWYYYMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-10-4-3-5-14(16(18)19)15(10)20-13-8-6-12(7-9-13)11(2)17/h3-9H,1-2H3,(H,18,19).
What are the key properties of 2-(4-acetylphenoxy)-3-methylbenzoic acid?
2-(4-acetylphenoxy)-3-methylbenzoic acid has a molecular weight of 270.28 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-3-methylbenzoic acid is sourced from PubChem (CID 61395933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).