3-hydroxy-2-methyl-4-prop-2-enylbenzoic acid

C11H12O3 — CID 90408616

IUPAC3-hydroxy-2-methyl-4-prop-2-enylbenzoic acid
SMILESC=CCc1ccc(C(=O)O)c(C)c1O
InChIInChI=1S/C11H12O3/c1-3-4-8-5-6-9(11(13)14)7(2)10(8)12/h3,5-6,12H,1,4H2,2H3,(H,13,14)
InChIKeyNEMYAIZVMMOFOY-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.13
Rot. Bonds3

About 3-hydroxy-2-methyl-4-prop-2-enylbenzoic acid

3-hydroxy-2-methyl-4-prop-2-enylbenzoic acid (PubChem CID 90408616) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-4-prop-2-enylbenzoic acid.

Molecular Properties

Compound Name3-hydroxy-2-methyl-4-prop-2-enylbenzoic acid
PubChem CID90408616
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-hydroxy-2-methyl-4-prop-2-enylbenzoic acid
SMILESC=CCc1ccc(C(=O)O)c(C)c1O
InChIInChI=1S/C11H12O3/c1-3-4-8-5-6-9(11(13)14)7(2)10(8)12/h3,5-6,12H,1,4H2,2H3,(H,13,14)
InChIKeyNEMYAIZVMMOFOY-UHFFFAOYSA-N
XLogP2.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-but-3-enyl-3-hydroxy-2-methylbenzoic acid
CID 134504200
4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid
CID 141207283
2-prop-2-enylbenzoic acid
CID 2752991
3,4-dihydroxy-2-methylbenzoic acid
CID 10442073
4-[2-(4-carboxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzoic acid
CID 139984801
4,5-bis(prop-2-enyl)naphthalene-1-carboxylic acid
CID 139984847
2,3-dimethylterephthalic acid
CID 158313107
4-formyl-3-hydroxy-2-methylbenzoic acid
CID 118952920
2-fluoro-3-methyl-6-prop-2-enylphenol
CID 107657766
5-amino-2-hydroxy-3-prop-2-enylbenzoic acid
CID 67985196
3,4-bis(prop-2-enyl)phthalic acid;phthalic acid
CID 175060882
2,3-bis[(3-hydroxy-2,6-dimethyl-4-prop-2-enylphenyl)methyl]benzene-1,4-dicarbothioic S-acid
CID 88840751

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-4-prop-2-enylbenzoic acid?
The IUPAC name of 3-hydroxy-2-methyl-4-prop-2-enylbenzoic acid (CID 90408616) is 3-hydroxy-2-methyl-4-prop-2-enylbenzoic acid.
What is the SMILES notation for 3-hydroxy-2-methyl-4-prop-2-enylbenzoic acid?
The canonical SMILES for 3-hydroxy-2-methyl-4-prop-2-enylbenzoic acid is C=CCc1ccc(C(=O)O)c(C)c1O.
What is the InChIKey of 3-hydroxy-2-methyl-4-prop-2-enylbenzoic acid?
The InChIKey is NEMYAIZVMMOFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-3-4-8-5-6-9(11(13)14)7(2)10(8)12/h3,5-6,12H,1,4H2,2H3,(H,13,14).
What are the key properties of 3-hydroxy-2-methyl-4-prop-2-enylbenzoic acid?
3-hydroxy-2-methyl-4-prop-2-enylbenzoic acid has a molecular weight of 192.21 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-4-prop-2-enylbenzoic acid is sourced from PubChem (CID 90408616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).