(2R)-2-(4-methoxyphenyl)pent-4-enoic acid

C12H14O3 — CID 124577541

IUPAC(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
SMILESC=CC[C@@H](C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C12H14O3/c1-3-4-11(12(13)14)9-5-7-10(15-2)8-6-9/h3,5-8,11H,1,4H2,2H3,(H,13,14)/t11-/m1/s1
InChIKeyHBZSMWUAIOCOGH-LLVKDONJSA-N
MW206.24 g/mol
LogP2.44
Rot. Bonds5

About (2R)-2-(4-methoxyphenyl)pent-4-enoic acid

(2R)-2-(4-methoxyphenyl)pent-4-enoic acid (PubChem CID 124577541) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)pent-4-enoic acid.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
PubChem CID124577541
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
SMILESC=CC[C@@H](C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C12H14O3/c1-3-4-11(12(13)14)9-5-7-10(15-2)8-6-9/h3,5-8,11H,1,4H2,2H3,(H,13,14)/t11-/m1/s1
InChIKeyHBZSMWUAIOCOGH-LLVKDONJSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-(4-methoxyphenyl)pent-4-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

(2R)-2-(3-methoxyphenyl)pent-4-enoic acid
CID 124706268
3-fluoro-2-(4-methoxyphenyl)propanoic acid
CID 20555403
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
[(1R)-1-(4-methoxyphenyl)but-3-enyl] acetate
CID 10955082
(4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid
CID 10518482
(2R)-4,4,4-trifluoro-2-(4-methoxyphenyl)butanoic acid
CID 125456327
[4-[1-(4-methoxyphenyl)but-3-enyl]phenyl] 2,2-dimethylpropanoate
CID 12965724
1-bromo-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 11255568
3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid
CID 20986100
3-(azepan-1-yl)-2-(4-methoxyphenyl)propanoic acid
CID 117245121
2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid
CID 21391762
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)propanoic acid
CID 102005725

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)pent-4-enoic acid?
The IUPAC name of (2R)-2-(4-methoxyphenyl)pent-4-enoic acid (CID 124577541) is (2R)-2-(4-methoxyphenyl)pent-4-enoic acid.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)pent-4-enoic acid?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)pent-4-enoic acid is C=CC[C@@H](C(=O)O)c1ccc(OC)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)pent-4-enoic acid?
The InChIKey is HBZSMWUAIOCOGH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-4-11(12(13)14)9-5-7-10(15-2)8-6-9/h3,5-8,11H,1,4H2,2H3,(H,13,14)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)pent-4-enoic acid?
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)pent-4-enoic acid is sourced from PubChem (CID 124577541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).