5-methyl-1-phenylhexa-1,4-dien-3-one

C13H14O — CID 73164511

IUPAC5-methyl-1-phenylhexa-1,4-dien-3-one
SMILESCC(C)=CC(=O)C=Cc1ccccc1
InChIInChI=1S/C13H14O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyOGKKCSAGHUIPND-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.24
Rot. Bonds3

About 5-methyl-1-phenylhexa-1,4-dien-3-one

5-methyl-1-phenylhexa-1,4-dien-3-one (PubChem CID 73164511) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 5-methyl-1-phenylhexa-1,4-dien-3-one.

Molecular Properties

Compound Name5-methyl-1-phenylhexa-1,4-dien-3-one
PubChem CID73164511
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name5-methyl-1-phenylhexa-1,4-dien-3-one
SMILESCC(C)=CC(=O)C=Cc1ccccc1
InChIInChI=1S/C13H14O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyOGKKCSAGHUIPND-UHFFFAOYSA-N
XLogP3.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methyl-1-phenylhexa-1,4-dien-3-one 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

(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
(1E,4Z,6E)-5-hydroxy-1,7-diphenylhepta-1,4,6-trien-3-one
CID 6474898
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(4E)-1,1-bis(methylsulfanyl)-5-phenylpenta-1,4-dien-3-one
CID 11747078
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone
CID 160723303
(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,4-dien-3-one
CID 101348718
methyl 2-methoxy-4-oxo-6-phenylhexa-2,5-dienoate
CID 90880390

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenylhexa-1,4-dien-3-one?
The IUPAC name of 5-methyl-1-phenylhexa-1,4-dien-3-one (CID 73164511) is 5-methyl-1-phenylhexa-1,4-dien-3-one.
What is the SMILES notation for 5-methyl-1-phenylhexa-1,4-dien-3-one?
The canonical SMILES for 5-methyl-1-phenylhexa-1,4-dien-3-one is CC(C)=CC(=O)C=Cc1ccccc1.
What is the InChIKey of 5-methyl-1-phenylhexa-1,4-dien-3-one?
The InChIKey is OGKKCSAGHUIPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of 5-methyl-1-phenylhexa-1,4-dien-3-one?
5-methyl-1-phenylhexa-1,4-dien-3-one has a molecular weight of 186.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenylhexa-1,4-dien-3-one is sourced from PubChem (CID 73164511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).