(Z)-3-(2-hydroxyphenyl)-4-methylpent-2-enoic acid

C12H14O3 — CID 115024567

IUPAC(Z)-3-(2-hydroxyphenyl)-4-methylpent-2-enoic acid
SMILESCC(C)/C(=C/C(=O)O)c1ccccc1O
InChIInChI=1S/C12H14O3/c1-8(2)10(7-12(14)15)9-5-3-4-6-11(9)13/h3-8,13H,1-2H3,(H,14,15)/b10-7-
InChIKeyHMBXGTFDGYGPOC-YFHOEESVSA-N
MW206.24 g/mol
LogP2.52
Rot. Bonds3

About (Z)-3-(2-hydroxyphenyl)-4-methylpent-2-enoic acid

(Z)-3-(2-hydroxyphenyl)-4-methylpent-2-enoic acid (PubChem CID 115024567) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (Z)-3-(2-hydroxyphenyl)-4-methylpent-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2-hydroxyphenyl)-4-methylpent-2-enoic acid
PubChem CID115024567
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(Z)-3-(2-hydroxyphenyl)-4-methylpent-2-enoic acid
SMILESCC(C)/C(=C/C(=O)O)c1ccccc1O
InChIInChI=1S/C12H14O3/c1-8(2)10(7-12(14)15)9-5-3-4-6-11(9)13/h3-8,13H,1-2H3,(H,14,15)/b10-7-
InChIKeyHMBXGTFDGYGPOC-YFHOEESVSA-N
XLogP2.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
(Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 115023312
2-aminopropanoic acid;2-hydroxybenzoic acid
CID 175151085
(E)-3-(2-methoxy-4-propan-2-ylphenyl)-4-methylpent-2-enoic acid
CID 82302738
1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one
CID 15261544
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
2-hydroxybenzoic acid;hydrobromide
CID 70122828
chromium;2-hydroxybenzoic acid
CID 87079476
CID 87183669
CID 87183669
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
2-hydroxybenzoic acid;silver
CID 87326670

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-hydroxyphenyl)-4-methylpent-2-enoic acid?
The IUPAC name of (Z)-3-(2-hydroxyphenyl)-4-methylpent-2-enoic acid (CID 115024567) is (Z)-3-(2-hydroxyphenyl)-4-methylpent-2-enoic acid.
What is the SMILES notation for (Z)-3-(2-hydroxyphenyl)-4-methylpent-2-enoic acid?
The canonical SMILES for (Z)-3-(2-hydroxyphenyl)-4-methylpent-2-enoic acid is CC(C)/C(=C/C(=O)O)c1ccccc1O.
What is the InChIKey of (Z)-3-(2-hydroxyphenyl)-4-methylpent-2-enoic acid?
The InChIKey is HMBXGTFDGYGPOC-YFHOEESVSA-N. The full InChI is InChI=1S/C12H14O3/c1-8(2)10(7-12(14)15)9-5-3-4-6-11(9)13/h3-8,13H,1-2H3,(H,14,15)/b10-7-.
What are the key properties of (Z)-3-(2-hydroxyphenyl)-4-methylpent-2-enoic acid?
(Z)-3-(2-hydroxyphenyl)-4-methylpent-2-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-hydroxyphenyl)-4-methylpent-2-enoic acid is sourced from PubChem (CID 115024567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).