2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid

C12H14O3 — CID 102639732

IUPAC2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid
SMILESC=CC(C)(Cc1cccc(O)c1)C(=O)O
InChIInChI=1S/C12H14O3/c1-3-12(2,11(14)15)8-9-5-4-6-10(13)7-9/h3-7,13H,1,8H2,2H3,(H,14,15)
InChIKeyHFNARNVJBYQKNB-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.21
Rot. Bonds4

About 2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid

2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid (PubChem CID 102639732) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid
PubChem CID102639732
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid
SMILESC=CC(C)(Cc1cccc(O)c1)C(=O)O
InChIInChI=1S/C12H14O3/c1-3-12(2,11(14)15)8-9-5-4-6-10(13)7-9/h3-7,13H,1,8H2,2H3,(H,14,15)
InChIKeyHFNARNVJBYQKNB-UHFFFAOYSA-N
XLogP2.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-benzyl-2-methylbut-3-enoic acid
CID 93234010
2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid;hydrate
CID 2729001
2-[(4-bromophenyl)methyl]-2-methylbut-3-enoic acid
CID 102639410
2-[(4-methoxyphenyl)methyl]-2-methylbut-3-enoic acid
CID 102639505
methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate
CID 67520417
2-[(2-chloro-6-fluorophenyl)methyl]-2-methylbut-3-enoic acid
CID 102639801
benzene-1,3-diol;hexakis(prop-2-enoic acid)
CID 158588762
2-ethoxycarbonyl-2-[(3-hydroxyphenyl)methyl]butanoic acid
CID 113360470
2-amino-3-butoxy-2-[(3-hydroxyphenyl)methyl]-3-oxopropanoic acid
CID 151679452
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
1-[3-(2,2-dimethylbut-3-enyl)phenyl]ethanone
CID 11816526
3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride
CID 115045835

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid?
The IUPAC name of 2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid (CID 102639732) is 2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid.
What is the SMILES notation for 2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid?
The canonical SMILES for 2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid is C=CC(C)(Cc1cccc(O)c1)C(=O)O.
What is the InChIKey of 2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid?
The InChIKey is HFNARNVJBYQKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-12(2,11(14)15)8-9-5-4-6-10(13)7-9/h3-7,13H,1,8H2,2H3,(H,14,15).
What are the key properties of 2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid?
2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid is sourced from PubChem (CID 102639732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).