4-methyl-6-phenylhex-2-enoic acid

C13H16O2 — CID 70467961

IUPAC4-methyl-6-phenylhex-2-enoic acid
SMILESCC(C=CC(=O)O)CCc1ccccc1
InChIInChI=1S/C13H16O2/c1-11(8-10-13(14)15)7-9-12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3,(H,14,15)
InChIKeyIKGXJBVYTBOSEU-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.90
Rot. Bonds5

About 4-methyl-6-phenylhex-2-enoic acid

4-methyl-6-phenylhex-2-enoic acid (PubChem CID 70467961) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-methyl-6-phenylhex-2-enoic acid.

Molecular Properties

Compound Name4-methyl-6-phenylhex-2-enoic acid
PubChem CID70467961
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name4-methyl-6-phenylhex-2-enoic acid
SMILESCC(C=CC(=O)O)CCc1ccccc1
InChIInChI=1S/C13H16O2/c1-11(8-10-13(14)15)7-9-12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3,(H,14,15)
InChIKeyIKGXJBVYTBOSEU-UHFFFAOYSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene
CID 67234615
2-methyl-4-phenylbutanoic acid
CID 66896591
(4R)-4-(benzylamino)pent-2-enoic acid
CID 70864583
(4S)-4-(benzylamino)pent-2-enoic acid
CID 70864574
(2S,3R)-2,3-dimethyl-5-phenylpentanal
CID 88857677
(E,4S,5R)-5-hydroxy-4-methyl-6-phenylmethoxyhex-2-enoic acid
CID 10901044
4-[(E)-3-methylhex-4-enyl]benzoic acid
CID 71083608
4-hydroxy-3-methoxy-8-methyl-10-phenyldec-6-enoic acid
CID 67565383
(2-methyl-4-phenylbutylidene)-phosphanylphosphane
CID 89156817
(Z)-4-oxo-4-(1-phenylhexan-3-ylamino)but-2-enoic acid
CID 102248926
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2-methyl-1,4-diphenylbutan-1-one
CID 11413736

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenylhex-2-enoic acid?
The IUPAC name of 4-methyl-6-phenylhex-2-enoic acid (CID 70467961) is 4-methyl-6-phenylhex-2-enoic acid.
What is the SMILES notation for 4-methyl-6-phenylhex-2-enoic acid?
The canonical SMILES for 4-methyl-6-phenylhex-2-enoic acid is CC(C=CC(=O)O)CCc1ccccc1.
What is the InChIKey of 4-methyl-6-phenylhex-2-enoic acid?
The InChIKey is IKGXJBVYTBOSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-11(8-10-13(14)15)7-9-12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3,(H,14,15).
What are the key properties of 4-methyl-6-phenylhex-2-enoic acid?
4-methyl-6-phenylhex-2-enoic acid has a molecular weight of 204.27 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenylhex-2-enoic acid is sourced from PubChem (CID 70467961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).