(2Z)-3-methyl-2-[(4-phenylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one

C23H26O — CID 6393932

IUPAC(2Z)-3-methyl-2-[(4-phenylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one
SMILESCC1CCC(C(C)C)C(=O)/C1=C\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H26O/c1-16(2)21-14-9-17(3)22(23(21)24)15-18-10-12-20(13-11-18)19-7-5-4-6-8-19/h4-8,10-13,15-17,21H,9,14H2,1-3H3/b22-15-
InChIKeyWCYVFYLBAYOAGC-JCMHNJIXSA-N
MW318.46 g/mol
LogP6.01
Rot. Bonds3

About (2Z)-3-methyl-2-[(4-phenylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one

(2Z)-3-methyl-2-[(4-phenylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one (PubChem CID 6393932) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is (2Z)-3-methyl-2-[(4-phenylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-3-methyl-2-[(4-phenylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one
PubChem CID6393932
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name(2Z)-3-methyl-2-[(4-phenylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one
SMILESCC1CCC(C(C)C)C(=O)/C1=C\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H26O/c1-16(2)21-14-9-17(3)22(23(21)24)15-18-10-12-20(13-11-18)19-7-5-4-6-8-19/h4-8,10-13,15-17,21H,9,14H2,1-3H3/b22-15-
InChIKeyWCYVFYLBAYOAGC-JCMHNJIXSA-N
XLogP6.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-methyl-2-[(4-phenylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one?
The IUPAC name of (2Z)-3-methyl-2-[(4-phenylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one (CID 6393932) is (2Z)-3-methyl-2-[(4-phenylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for (2Z)-3-methyl-2-[(4-phenylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one?
The canonical SMILES for (2Z)-3-methyl-2-[(4-phenylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one is CC1CCC(C(C)C)C(=O)/C1=C\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2Z)-3-methyl-2-[(4-phenylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one?
The InChIKey is WCYVFYLBAYOAGC-JCMHNJIXSA-N. The full InChI is InChI=1S/C23H26O/c1-16(2)21-14-9-17(3)22(23(21)24)15-18-10-12-20(13-11-18)19-7-5-4-6-8-19/h4-8,10-13,15-17,21H,9,14H2,1-3H3/b22-15-.
What are the key properties of (2Z)-3-methyl-2-[(4-phenylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one?
(2Z)-3-methyl-2-[(4-phenylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one has a molecular weight of 318.46 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methyl-2-[(4-phenylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 6393932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).