5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one

C25H22O — CID 11198540

IUPAC5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one
SMILESCc1cccc(C2CC(=O)C=C(c3ccc(-c4ccccc4)cc3)C2)c1
InChIInChI=1S/C25H22O/c1-18-6-5-9-22(14-18)24-15-23(16-25(26)17-24)21-12-10-20(11-13-21)19-7-3-2-4-8-19/h2-14,16,24H,15,17H2,1H3
InChIKeyMLMIIMZCVYKZIV-UHFFFAOYSA-N
MW338.45 g/mol
LogP6.19
Rot. Bonds3

About 5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one

5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one (PubChem CID 11198540) has the molecular formula C25H22O and a molecular weight of 338.45 g/mol. Its IUPAC name is 5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one
PubChem CID11198540
Molecular FormulaC25H22O
Molecular Weight338.45 g/mol
Exact Mass338.17
IUPAC Name5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one
SMILESCc1cccc(C2CC(=O)C=C(c3ccc(-c4ccccc4)cc3)C2)c1
InChIInChI=1S/C25H22O/c1-18-6-5-9-22(14-18)24-15-23(16-25(26)17-24)21-12-10-20(11-13-21)19-7-3-2-4-8-19/h2-14,16,24H,15,17H2,1H3
InChIKeyMLMIIMZCVYKZIV-UHFFFAOYSA-N
XLogP6.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one
CID 13109896
(5S)-3-(4-bromophenyl)-5-(3-chlorophenyl)cyclohex-2-en-1-one
CID 46242278
ethyl 6-(3-methylphenyl)-2-oxo-4-(4-phenylphenyl)cyclohex-3-ene-1-carboxylate
CID 11212031
(5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 42628199
(5S)-3-methyl-5-(3-phenoxyphenyl)cyclohex-2-en-1-one
CID 139074788
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1-(cyclodecapentaenyl)-5-methylcyclodeca-1,3,5,7,9-pentaene
CID 123859615
ethene;1-methyl-3-phenylbenzene
CID 142622149
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1,1'-biphenyl;toluene
CID 18366440
ethane;1-methyl-3-phenylbenzene
CID 142040878

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one?
The IUPAC name of 5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one (CID 11198540) is 5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one.
What is the SMILES notation for 5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one?
The canonical SMILES for 5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one is Cc1cccc(C2CC(=O)C=C(c3ccc(-c4ccccc4)cc3)C2)c1.
What is the InChIKey of 5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one?
The InChIKey is MLMIIMZCVYKZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O/c1-18-6-5-9-22(14-18)24-15-23(16-25(26)17-24)21-12-10-20(11-13-21)19-7-3-2-4-8-19/h2-14,16,24H,15,17H2,1H3.
What are the key properties of 5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one?
5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one has a molecular weight of 338.45 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 11198540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).