3-[(E)-2-(4-methylphenyl)ethenyl]-3-[(E)-2-phenylethenyl]cyclohexan-1-one

C23H24O — CID 134951277

IUPAC3-[(E)-2-(4-methylphenyl)ethenyl]-3-[(E)-2-phenylethenyl]cyclohexan-1-one
SMILESCc1ccc(/C=C/C2(/C=C/c3ccccc3)CCCC(=O)C2)cc1
InChIInChI=1S/C23H24O/c1-19-9-11-21(12-10-19)14-17-23(15-5-8-22(24)18-23)16-13-20-6-3-2-4-7-20/h2-4,6-7,9-14,16-17H,5,8,15,18H2,1H3/b16-13+,17-14+
InChIKeyNMFBVXYEMPJTDZ-DISAMGIASA-N
MW316.44 g/mol
LogP5.85
Rot. Bonds4

About 3-[(E)-2-(4-methylphenyl)ethenyl]-3-[(E)-2-phenylethenyl]cyclohexan-1-one

3-[(E)-2-(4-methylphenyl)ethenyl]-3-[(E)-2-phenylethenyl]cyclohexan-1-one (PubChem CID 134951277) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-[(E)-2-(4-methylphenyl)ethenyl]-3-[(E)-2-phenylethenyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[(E)-2-(4-methylphenyl)ethenyl]-3-[(E)-2-phenylethenyl]cyclohexan-1-one
PubChem CID134951277
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name3-[(E)-2-(4-methylphenyl)ethenyl]-3-[(E)-2-phenylethenyl]cyclohexan-1-one
SMILESCc1ccc(/C=C/C2(/C=C/c3ccccc3)CCCC(=O)C2)cc1
InChIInChI=1S/C23H24O/c1-19-9-11-21(12-10-19)14-17-23(15-5-8-22(24)18-23)16-13-20-6-3-2-4-7-20/h2-4,6-7,9-14,16-17H,5,8,15,18H2,1H3/b16-13+,17-14+
InChIKeyNMFBVXYEMPJTDZ-DISAMGIASA-N
XLogP5.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-methylphenyl)ethenyl]-3-[(E)-2-phenylethenyl]cyclohexan-1-one?
The IUPAC name of 3-[(E)-2-(4-methylphenyl)ethenyl]-3-[(E)-2-phenylethenyl]cyclohexan-1-one (CID 134951277) is 3-[(E)-2-(4-methylphenyl)ethenyl]-3-[(E)-2-phenylethenyl]cyclohexan-1-one.
What is the SMILES notation for 3-[(E)-2-(4-methylphenyl)ethenyl]-3-[(E)-2-phenylethenyl]cyclohexan-1-one?
The canonical SMILES for 3-[(E)-2-(4-methylphenyl)ethenyl]-3-[(E)-2-phenylethenyl]cyclohexan-1-one is Cc1ccc(/C=C/C2(/C=C/c3ccccc3)CCCC(=O)C2)cc1.
What is the InChIKey of 3-[(E)-2-(4-methylphenyl)ethenyl]-3-[(E)-2-phenylethenyl]cyclohexan-1-one?
The InChIKey is NMFBVXYEMPJTDZ-DISAMGIASA-N. The full InChI is InChI=1S/C23H24O/c1-19-9-11-21(12-10-19)14-17-23(15-5-8-22(24)18-23)16-13-20-6-3-2-4-7-20/h2-4,6-7,9-14,16-17H,5,8,15,18H2,1H3/b16-13+,17-14+.
What are the key properties of 3-[(E)-2-(4-methylphenyl)ethenyl]-3-[(E)-2-phenylethenyl]cyclohexan-1-one?
3-[(E)-2-(4-methylphenyl)ethenyl]-3-[(E)-2-phenylethenyl]cyclohexan-1-one has a molecular weight of 316.44 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-methylphenyl)ethenyl]-3-[(E)-2-phenylethenyl]cyclohexan-1-one is sourced from PubChem (CID 134951277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).