4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid

C11H10O4 — CID 139979105

IUPAC4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid
SMILESC=Cc1ccc(C(=O)O)c(C)c1C(=O)O
InChIInChI=1S/C11H10O4/c1-3-7-4-5-8(10(12)13)6(2)9(7)11(14)15/h3-5H,1H2,2H3,(H,12,13)(H,14,15)
InChIKeyQFWWEFVCJGCELQ-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.03
Rot. Bonds3

About 4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid

4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid (PubChem CID 139979105) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid
PubChem CID139979105
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid
SMILESC=Cc1ccc(C(=O)O)c(C)c1C(=O)O
InChIInChI=1S/C11H10O4/c1-3-7-4-5-8(10(12)13)6(2)9(7)11(14)15/h3-5H,1H2,2H3,(H,12,13)(H,14,15)
InChIKeyQFWWEFVCJGCELQ-UHFFFAOYSA-N
XLogP2.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethylterephthalic acid
CID 158313107
2-methyl-4-(trichloromethyl)benzene-1,3-dicarboxylic acid
CID 159775036
cyclohexane;2,4-dimethylbenzene-1,3-dicarboxylic acid
CID 67877311
4-formyl-3-hydroxy-2-methylbenzoic acid
CID 118952920
2-ethenyl-4-iodobenzoic acid
CID 147251599
4-(diethylamino)-2-methylbenzene-1,3-dicarboxylic acid
CID 174661599
4-(2-aminoacetyl)-2-methylbenzene-1,3-dicarboxylic acid
CID 174858939
4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 130282207
4-(3-carboxypropanoyl)-2-methylbenzene-1,3-dicarboxylic acid
CID 150528569
2-ethenylterephthalic acid
CID 21087698
4-[2-(4-carboxy-3-ethenylphenyl)propan-2-yl]-2-ethenylbenzoic acid
CID 139981573
4-cyclopenta-2,4-dien-1-yl-2-methylbenzene-1,3-dicarboxylic acid
CID 174672682

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid (CID 139979105) is 4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid is C=Cc1ccc(C(=O)O)c(C)c1C(=O)O.
What is the InChIKey of 4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid?
The InChIKey is QFWWEFVCJGCELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-3-7-4-5-8(10(12)13)6(2)9(7)11(14)15/h3-5H,1H2,2H3,(H,12,13)(H,14,15).
What are the key properties of 4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid?
4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 139979105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).