4-[4-(hydroxymethyl)phenyl]but-3-enoic acid

C11H12O3 — CID 170483181

IUPAC4-[4-(hydroxymethyl)phenyl]but-3-enoic acid
SMILESO=C(O)CC=Cc1ccc(CO)cc1
InChIInChI=1S/C11H12O3/c12-8-10-6-4-9(5-7-10)2-1-3-11(13)14/h1-2,4-7,12H,3,8H2,(H,13,14)
InChIKeyQPSMCMAAGVGWLF-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.67
Rot. Bonds4

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

4-[4-(hydroxymethyl)phenyl]but-3-enoic acid (PubChem CID 170483181) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)phenyl]but-3-enoic acid.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)phenyl]but-3-enoic acid
PubChem CID170483181
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-[4-(hydroxymethyl)phenyl]but-3-enoic acid
SMILESO=C(O)CC=Cc1ccc(CO)cc1
InChIInChI=1S/C11H12O3/c12-8-10-6-4-9(5-7-10)2-1-3-11(13)14/h1-2,4-7,12H,3,8H2,(H,13,14)
InChIKeyQPSMCMAAGVGWLF-UHFFFAOYSA-N
XLogP1.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze 4-[4-(hydroxymethyl)phenyl]but-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

(Z)-4-(4-methylphenyl)but-3-enoic acid
CID 94034249
(E)-4-(4-butylphenyl)but-3-enoic acid
CID 95442446
4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid
CID 170483911
4-[2-amino-5-(hydroxymethyl)phenyl]but-3-enoic acid
CID 69165191
1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid
CID 170484314
S-[4-[4-(hydroxymethyl)phenyl]but-3-enyl] ethanethioate
CID 170479705
(E)-4-[4-(4-oxo-1-pyridinyl)phenyl]but-3-enoic acid
CID 15045273
4-(6-oxo-1H-pyridin-3-yl)but-3-enoic acid
CID 170484561
(4-prop-1-enylphenyl)methanol
CID 67711719
4-phenylbut-3-enoic acid;prop-2-enenitrile
CID 67360679
4-(3-amino-4-methylphenyl)but-3-enoic acid
CID 170483298
3-[4-(4-hydroxybut-1-enyl)phenyl]propanoic acid
CID 170477084

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)phenyl]but-3-enoic acid?
The IUPAC name of 4-[4-(hydroxymethyl)phenyl]but-3-enoic acid (CID 170483181) is 4-[4-(hydroxymethyl)phenyl]but-3-enoic acid.
What is the SMILES notation for 4-[4-(hydroxymethyl)phenyl]but-3-enoic acid?
The canonical SMILES for 4-[4-(hydroxymethyl)phenyl]but-3-enoic acid is O=C(O)CC=Cc1ccc(CO)cc1.
What is the InChIKey of 4-[4-(hydroxymethyl)phenyl]but-3-enoic acid?
The InChIKey is QPSMCMAAGVGWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-8-10-6-4-9(5-7-10)2-1-3-11(13)14/h1-2,4-7,12H,3,8H2,(H,13,14).
What are the key properties of 4-[4-(hydroxymethyl)phenyl]but-3-enoic acid?
4-[4-(hydroxymethyl)phenyl]but-3-enoic acid has a molecular weight of 192.21 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)phenyl]but-3-enoic acid is sourced from PubChem (CID 170483181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).