(2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid

C12H12O3 — CID 15150197

IUPAC(2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid
SMILESCC(=C/C(=O)O)/C=C/c1ccccc1O
InChIInChI=1S/C12H12O3/c1-9(8-12(14)15)6-7-10-4-2-3-5-11(10)13/h2-8,13H,1H3,(H,14,15)/b7-6+,9-8-
InChIKeyRDPIDZNIBIYGTL-MUIOLIGRSA-N
MW204.22 g/mol
LogP2.44
Rot. Bonds3

About (2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid

(2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid (PubChem CID 15150197) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is (2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid
PubChem CID15150197
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name(2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid
SMILESCC(=C/C(=O)O)/C=C/c1ccccc1O
InChIInChI=1S/C12H12O3/c1-9(8-12(14)15)6-7-10-4-2-3-5-11(10)13/h2-8,13H,1H3,(H,14,15)/b7-6+,9-8-
InChIKeyRDPIDZNIBIYGTL-MUIOLIGRSA-N
XLogP2.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic 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)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
(4E)-3-methyl-5-phenylpenta-2,4-dienoic acid
CID 774941
(E)-4-(2-hydroxyphenyl)but-3-en-2-one
CID 5356585
(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 6436784
1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one
CID 154111061
6-(2-hydroxyphenyl)hex-5-ene-2,4-dione
CID 91017486
(E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid
CID 102322322
3-methyl-5-[2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]phenyl]penta-2,4-dienoic acid
CID 54540162
3-methyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]penta-2,4-dienoic acid
CID 54131093
(2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid
CID 774945
(2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid
CID 134855099
(2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid
CID 1368846

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid?
The IUPAC name of (2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid (CID 15150197) is (2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid?
The canonical SMILES for (2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid is CC(=C/C(=O)O)/C=C/c1ccccc1O.
What is the InChIKey of (2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid?
The InChIKey is RDPIDZNIBIYGTL-MUIOLIGRSA-N. The full InChI is InChI=1S/C12H12O3/c1-9(8-12(14)15)6-7-10-4-2-3-5-11(10)13/h2-8,13H,1H3,(H,14,15)/b7-6+,9-8-.
What are the key properties of (2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid?
(2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid has a molecular weight of 204.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid is sourced from PubChem (CID 15150197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).