2-methyl-4-prop-1-en-2-ylbenzoic acid

C11H12O2 — CID 130288134

IUPAC2-methyl-4-prop-1-en-2-ylbenzoic acid
SMILESC=C(C)c1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C11H12O2/c1-7(2)9-4-5-10(11(12)13)8(3)6-9/h4-6H,1H2,2-3H3,(H,12,13)
InChIKeyPWCXZRUOOZCTNB-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.73
Rot. Bonds2

About 2-methyl-4-prop-1-en-2-ylbenzoic acid

2-methyl-4-prop-1-en-2-ylbenzoic acid (PubChem CID 130288134) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-methyl-4-prop-1-en-2-ylbenzoic acid.

Molecular Properties

Compound Name2-methyl-4-prop-1-en-2-ylbenzoic acid
PubChem CID130288134
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name2-methyl-4-prop-1-en-2-ylbenzoic acid
SMILESC=C(C)c1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C11H12O2/c1-7(2)9-4-5-10(11(12)13)8(3)6-9/h4-6H,1H2,2-3H3,(H,12,13)
InChIKeyPWCXZRUOOZCTNB-UHFFFAOYSA-N
XLogP2.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-carbamothioyl-2-methylbenzoic acid
CID 87194457
2-methyl-4-propan-2-ylbenzoic acid
CID 22444417
4-(N'-hydroxycarbamimidoyl)-2-methylbenzoic acid
CID 173379142
1,2,4-tris(prop-1-en-2-yl)benzene
CID 11194966
benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
CID 67940861
CID 162313209
CID 162313209
4-chloro-2-methylbenzoic acid;ethane
CID 145482472
4-[2-(4-carboxy-3-methylphenyl)propan-2-yl]-2-methylbenzoic acid
CID 67542151
bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone
CID 54475373
1-(4-acetyl-3-methylphenyl)ethanone;1-(4-acetylphenyl)ethanone
CID 54481190
4-(1-amino-2-oxopropyl)-2-methylbenzoic acid
CID 69415737
4-(hydroxymethyl)-2-methylbenzoic acid
CID 23212172

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-prop-1-en-2-ylbenzoic acid?
The IUPAC name of 2-methyl-4-prop-1-en-2-ylbenzoic acid (CID 130288134) is 2-methyl-4-prop-1-en-2-ylbenzoic acid.
What is the SMILES notation for 2-methyl-4-prop-1-en-2-ylbenzoic acid?
The canonical SMILES for 2-methyl-4-prop-1-en-2-ylbenzoic acid is C=C(C)c1ccc(C(=O)O)c(C)c1.
What is the InChIKey of 2-methyl-4-prop-1-en-2-ylbenzoic acid?
The InChIKey is PWCXZRUOOZCTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-7(2)9-4-5-10(11(12)13)8(3)6-9/h4-6H,1H2,2-3H3,(H,12,13).
What are the key properties of 2-methyl-4-prop-1-en-2-ylbenzoic acid?
2-methyl-4-prop-1-en-2-ylbenzoic acid has a molecular weight of 176.21 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-prop-1-en-2-ylbenzoic acid is sourced from PubChem (CID 130288134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).