3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid

C11H12O3 — CID 67022405

IUPAC3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid
SMILESCC(=Cc1ccc(CO)cc1)C(=O)O
InChIInChI=1S/C11H12O3/c1-8(11(13)14)6-9-2-4-10(7-12)5-3-9/h2-6,12H,7H2,1H3,(H,13,14)
InChIKeyOVAMVKMWMFTCLI-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.67
Rot. Bonds3

About 3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid

3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid (PubChem CID 67022405) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid
PubChem CID67022405
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid
SMILESCC(=Cc1ccc(CO)cc1)C(=O)O
InChIInChI=1S/C11H12O3/c1-8(11(13)14)6-9-2-4-10(7-12)5-3-9/h2-6,12H,7H2,1H3,(H,13,14)
InChIKeyOVAMVKMWMFTCLI-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-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

3-[4-(2-carboxyprop-1-enyl)phenyl]-2-methylprop-2-enoic acid
CID 54467707
acetic acid;[4-(hydroxymethyl)phenyl]methanol
CID 71354218
(E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid
CID 6312944
3-(4-acetylphenyl)-2-methylprop-2-enoic acid
CID 67022362
2-methyl-3-[4-[(pyrrolidin-1-ylamino)methyl]phenyl]prop-2-enoic acid
CID 150716646
magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid
CID 173177679
(E)-3-(4-chlorophenyl)-2-methylprop-2-enoic acid;ethane
CID 156638476
(Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid
CID 55255959
3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid
CID 79725913
(E)-3-[4-[(E)-2-carboxyethenyl]phenyl]-2-methylprop-2-enoic acid
CID 170873087
3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid
CID 54032507
(E)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-methylprop-2-enoic acid
CID 170873192

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid?
The IUPAC name of 3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid (CID 67022405) is 3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid?
The canonical SMILES for 3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid is CC(=Cc1ccc(CO)cc1)C(=O)O.
What is the InChIKey of 3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid?
The InChIKey is OVAMVKMWMFTCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8(11(13)14)6-9-2-4-10(7-12)5-3-9/h2-6,12H,7H2,1H3,(H,13,14).
What are the key properties of 3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid?
3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid has a molecular weight of 192.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid is sourced from PubChem (CID 67022405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).