2-ethenyl-5-(4-methoxyphenyl)benzoic acid

C16H14O3 — CID 91479677

IUPAC2-ethenyl-5-(4-methoxyphenyl)benzoic acid
SMILESC=Cc1ccc(-c2ccc(OC)cc2)cc1C(=O)O
InChIInChI=1S/C16H14O3/c1-3-11-4-5-13(10-15(11)16(17)18)12-6-8-14(19-2)9-7-12/h3-10H,1H2,2H3,(H,17,18)
InChIKeyVNJJCANOHLPSGC-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.70
Rot. Bonds4

About 2-ethenyl-5-(4-methoxyphenyl)benzoic acid

2-ethenyl-5-(4-methoxyphenyl)benzoic acid (PubChem CID 91479677) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-ethenyl-5-(4-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-ethenyl-5-(4-methoxyphenyl)benzoic acid
PubChem CID91479677
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name2-ethenyl-5-(4-methoxyphenyl)benzoic acid
SMILESC=Cc1ccc(-c2ccc(OC)cc2)cc1C(=O)O
InChIInChI=1S/C16H14O3/c1-3-11-4-5-13(10-15(11)16(17)18)12-6-8-14(19-2)9-7-12/h3-10H,1H2,2H3,(H,17,18)
InChIKeyVNJJCANOHLPSGC-UHFFFAOYSA-N
XLogP3.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethenyl-5-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 67540721
4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333222
2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222794
dimethyl 4-(4-methoxyphenyl)benzene-1,2-dicarboxylate
CID 135017986
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
tert-butyl 2-ethenyl-5-methoxybenzoate
CID 172649027
5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 117222176
2-[[3-(4-methoxyphenyl)benzoyl]-prop-2-enylamino]benzoic acid
CID 5170533
(2-ethenylphenyl)-(4-methoxyphenyl)methanone
CID 134346906
4-bromo-2-methylbenzoic acid;4-(4-methoxyphenyl)-2-methylbenzoic acid
CID 160999452
3-(4-methoxyphenyl)-1-prop-2-enylpyrazole-5-carboxylic acid
CID 82300302
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-(4-methoxyphenyl)benzoic acid?
The IUPAC name of 2-ethenyl-5-(4-methoxyphenyl)benzoic acid (CID 91479677) is 2-ethenyl-5-(4-methoxyphenyl)benzoic acid.
What is the SMILES notation for 2-ethenyl-5-(4-methoxyphenyl)benzoic acid?
The canonical SMILES for 2-ethenyl-5-(4-methoxyphenyl)benzoic acid is C=Cc1ccc(-c2ccc(OC)cc2)cc1C(=O)O.
What is the InChIKey of 2-ethenyl-5-(4-methoxyphenyl)benzoic acid?
The InChIKey is VNJJCANOHLPSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-3-11-4-5-13(10-15(11)16(17)18)12-6-8-14(19-2)9-7-12/h3-10H,1H2,2H3,(H,17,18).
What are the key properties of 2-ethenyl-5-(4-methoxyphenyl)benzoic acid?
2-ethenyl-5-(4-methoxyphenyl)benzoic acid has a molecular weight of 254.28 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-(4-methoxyphenyl)benzoic acid is sourced from PubChem (CID 91479677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).