(E)-2-[(4-hydroxyphenyl)methyl]-4-methylpent-2-enoic acid

C13H16O3 — CID 66804292

IUPAC(E)-2-[(4-hydroxyphenyl)methyl]-4-methylpent-2-enoic acid
SMILESCC(C)/C=C(\Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C13H16O3/c1-9(2)7-11(13(15)16)8-10-3-5-12(14)6-4-10/h3-7,9,14H,8H2,1-2H3,(H,15,16)/b11-7+
InChIKeyIHQYFYGAUHOSKH-YRNVUSSQSA-N
MW220.27 g/mol
LogP2.60
Rot. Bonds4

About (E)-2-[(4-hydroxyphenyl)methyl]-4-methylpent-2-enoic acid

(E)-2-[(4-hydroxyphenyl)methyl]-4-methylpent-2-enoic acid (PubChem CID 66804292) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (E)-2-[(4-hydroxyphenyl)methyl]-4-methylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-2-[(4-hydroxyphenyl)methyl]-4-methylpent-2-enoic acid
PubChem CID66804292
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(E)-2-[(4-hydroxyphenyl)methyl]-4-methylpent-2-enoic acid
SMILESCC(C)/C=C(\Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C13H16O3/c1-9(2)7-11(13(15)16)8-10-3-5-12(14)6-4-10/h3-7,9,14H,8H2,1-2H3,(H,15,16)/b11-7+
InChIKeyIHQYFYGAUHOSKH-YRNVUSSQSA-N
XLogP2.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-[(4-hydroxyphenyl)methyl]-4-methylpent-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

(E)-2-[(4-carbamoylphenyl)methyl]-4-methylpent-2-enoic acid
CID 66804271
(E)-2-[(4-hydroxyphenyl)methyl]pent-2-enoic acid
CID 66804491
3-hydroxy-1-(4-hydroxyphenyl)butan-2-one
CID 66599101
benzene;3-(4-hydroxyphenyl)-2-oxopropanoic acid
CID 175418924
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
3-(4-hydroxyphenyl)-2-sulfanylidenepropanoic acid
CID 51059361
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
2-ethyl-3-[(4-hydroxyphenyl)methyl]but-2-enedioic acid
CID 66648835
4-(4-hydroxyphenyl)-3-oxo-2-propan-2-ylbutanal
CID 142704090
(Z)-4-methyl-2-(2-oxo-2-phenylmethoxyethyl)pent-2-enoic acid
CID 101339378
(2R)-2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 28934153
4-amino-1-(4-hydroxyphenyl)pentan-2-one
CID 116555956

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(4-hydroxyphenyl)methyl]-4-methylpent-2-enoic acid?
The IUPAC name of (E)-2-[(4-hydroxyphenyl)methyl]-4-methylpent-2-enoic acid (CID 66804292) is (E)-2-[(4-hydroxyphenyl)methyl]-4-methylpent-2-enoic acid.
What is the SMILES notation for (E)-2-[(4-hydroxyphenyl)methyl]-4-methylpent-2-enoic acid?
The canonical SMILES for (E)-2-[(4-hydroxyphenyl)methyl]-4-methylpent-2-enoic acid is CC(C)/C=C(\Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of (E)-2-[(4-hydroxyphenyl)methyl]-4-methylpent-2-enoic acid?
The InChIKey is IHQYFYGAUHOSKH-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H16O3/c1-9(2)7-11(13(15)16)8-10-3-5-12(14)6-4-10/h3-7,9,14H,8H2,1-2H3,(H,15,16)/b11-7+.
What are the key properties of (E)-2-[(4-hydroxyphenyl)methyl]-4-methylpent-2-enoic acid?
(E)-2-[(4-hydroxyphenyl)methyl]-4-methylpent-2-enoic acid has a molecular weight of 220.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(4-hydroxyphenyl)methyl]-4-methylpent-2-enoic acid is sourced from PubChem (CID 66804292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).