1-(2-phenylphenyl)hex-5-en-1-one

C18H18O — CID 69047929

IUPAC1-(2-phenylphenyl)hex-5-en-1-one
SMILESC=CCCCC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H18O/c1-2-3-5-14-18(19)17-13-9-8-12-16(17)15-10-6-4-7-11-15/h2,4,6-13H,1,3,5,14H2
InChIKeyHRAGAZWYJMTILU-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.89
Rot. Bonds6

About 1-(2-phenylphenyl)hex-5-en-1-one

1-(2-phenylphenyl)hex-5-en-1-one (PubChem CID 69047929) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2-phenylphenyl)hex-5-en-1-one.

Molecular Properties

Compound Name1-(2-phenylphenyl)hex-5-en-1-one
PubChem CID69047929
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name1-(2-phenylphenyl)hex-5-en-1-one
SMILESC=CCCCC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H18O/c1-2-3-5-14-18(19)17-13-9-8-12-16(17)15-10-6-4-7-11-15/h2,4,6-13H,1,3,5,14H2
InChIKeyHRAGAZWYJMTILU-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-phenylphenyl)hex-5-en-1-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

1-[2-(2-phenylethynyl)phenyl]hex-5-en-1-one
CID 10659945
1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one
CID 116613275
1-(2-aminophenyl)oct-7-en-1-one
CID 107008243
1-(2-chloro-3-methylphenyl)hex-5-en-1-one
CID 114974829
1-(2-methoxyphenyl)hept-6-en-1-one
CID 159355856
1-(2-hydroxyphenyl)pent-4-en-1-one
CID 15394978
(2R)-2-[[5-oxo-5-(2-phenylphenyl)pentanoyl]amino]-3-sulfopropanoic acid
CID 87372940
1-[2-(2-trimethylsilylethynyl)phenyl]hex-5-en-1-one
CID 10084519
5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid
CID 19036881
2,4-dioxo-4-(2-phenylphenyl)butanoic acid
CID 23623031
1-[2-(2-aminoethyl)phenyl]oct-7-en-1-one
CID 107010889
benzylbenzene;hex-5-enoic acid
CID 70412455

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylphenyl)hex-5-en-1-one?
The IUPAC name of 1-(2-phenylphenyl)hex-5-en-1-one (CID 69047929) is 1-(2-phenylphenyl)hex-5-en-1-one.
What is the SMILES notation for 1-(2-phenylphenyl)hex-5-en-1-one?
The canonical SMILES for 1-(2-phenylphenyl)hex-5-en-1-one is C=CCCCC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-(2-phenylphenyl)hex-5-en-1-one?
The InChIKey is HRAGAZWYJMTILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-2-3-5-14-18(19)17-13-9-8-12-16(17)15-10-6-4-7-11-15/h2,4,6-13H,1,3,5,14H2.
What are the key properties of 1-(2-phenylphenyl)hex-5-en-1-one?
1-(2-phenylphenyl)hex-5-en-1-one has a molecular weight of 250.34 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylphenyl)hex-5-en-1-one is sourced from PubChem (CID 69047929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).