(2R)-5-methyl-2-phenylhex-4-enoic acid

C13H16O2 — CID 71722760

IUPAC(2R)-5-methyl-2-phenylhex-4-enoic acid
SMILESCC(C)=CC[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H16O2/c1-10(2)8-9-12(13(14)15)11-6-4-3-5-7-11/h3-8,12H,9H2,1-2H3,(H,14,15)/t12-/m1/s1
InChIKeyYLNBMULYXHXMRC-GFCCVEGCSA-N
MW204.27 g/mol
LogP3.21
Rot. Bonds4

About (2R)-5-methyl-2-phenylhex-4-enoic acid

(2R)-5-methyl-2-phenylhex-4-enoic acid (PubChem CID 71722760) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2R)-5-methyl-2-phenylhex-4-enoic acid.

Molecular Properties

Compound Name(2R)-5-methyl-2-phenylhex-4-enoic acid
PubChem CID71722760
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2R)-5-methyl-2-phenylhex-4-enoic acid
SMILESCC(C)=CC[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H16O2/c1-10(2)8-9-12(13(14)15)11-6-4-3-5-7-11/h3-8,12H,9H2,1-2H3,(H,14,15)/t12-/m1/s1
InChIKeyYLNBMULYXHXMRC-GFCCVEGCSA-N
XLogP3.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-5-methyl-2-phenylhex-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

2-(3-chlorophenyl)-5-methylhex-4-enoic acid
CID 79440640
(6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene
CID 71416480
4-(5,9-dimethyl-2-phenyldeca-4,8-dienoyl)oxy-2,4-diphenylbutanoic acid
CID 57137592
(4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid
CID 10518482
2-phenylbutanedioic acid
CID 161009404
2-phenyl-3-phosphanylpropanoic acid
CID 174900432
3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid
CID 83013948
(Z)-3-phenylhept-5-en-2-one
CID 5363833
europium;tris(2-phenylbutanedioic acid)
CID 156846982
(2S)-2,3-diphenylpropanoic acid
CID 737125
4-oxo-2-phenylhexanoic acid
CID 13284198
4-iodo-2-phenylpentanoic acid
CID 134988411

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methyl-2-phenylhex-4-enoic acid?
The IUPAC name of (2R)-5-methyl-2-phenylhex-4-enoic acid (CID 71722760) is (2R)-5-methyl-2-phenylhex-4-enoic acid.
What is the SMILES notation for (2R)-5-methyl-2-phenylhex-4-enoic acid?
The canonical SMILES for (2R)-5-methyl-2-phenylhex-4-enoic acid is CC(C)=CC[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-5-methyl-2-phenylhex-4-enoic acid?
The InChIKey is YLNBMULYXHXMRC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16O2/c1-10(2)8-9-12(13(14)15)11-6-4-3-5-7-11/h3-8,12H,9H2,1-2H3,(H,14,15)/t12-/m1/s1.
What are the key properties of (2R)-5-methyl-2-phenylhex-4-enoic acid?
(2R)-5-methyl-2-phenylhex-4-enoic acid has a molecular weight of 204.27 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methyl-2-phenylhex-4-enoic acid is sourced from PubChem (CID 71722760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).