(6E)-2-[(3,4-dimethylphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methylidene]cyclohexan-1-one

C24H28O2 — CID 163302819

IUPAC(6E)-2-[(3,4-dimethylphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methylidene]cyclohexan-1-one
SMILESCOc1cc(/C=C2\CCCC(Cc3ccc(C)c(C)c3)C2=O)ccc1C
InChIInChI=1S/C24H28O2/c1-16-8-10-19(12-18(16)3)13-21-6-5-7-22(24(21)25)14-20-11-9-17(2)23(15-20)26-4/h8-12,14-15,21H,5-7,13H2,1-4H3/b22-14+
InChIKeyFJYFJSASGJGZDQ-HYARGMPZSA-N
MW348.49 g/mol
LogP5.62
Rot. Bonds4

About (6E)-2-[(3,4-dimethylphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methylidene]cyclohexan-1-one

(6E)-2-[(3,4-dimethylphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methylidene]cyclohexan-1-one (PubChem CID 163302819) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (6E)-2-[(3,4-dimethylphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(6E)-2-[(3,4-dimethylphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methylidene]cyclohexan-1-one
PubChem CID163302819
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name(6E)-2-[(3,4-dimethylphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methylidene]cyclohexan-1-one
SMILESCOc1cc(/C=C2\CCCC(Cc3ccc(C)c(C)c3)C2=O)ccc1C
InChIInChI=1S/C24H28O2/c1-16-8-10-19(12-18(16)3)13-21-6-5-7-22(24(21)25)14-20-11-9-17(2)23(15-20)26-4/h8-12,14-15,21H,5-7,13H2,1-4H3/b22-14+
InChIKeyFJYFJSASGJGZDQ-HYARGMPZSA-N
XLogP5.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6E)-2-[(3,4-dimethylphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methylidene]cyclohexan-1-one with MolForge

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one
CID 20608911
(2E,6S)-2-[(3,4-dimethoxyphenyl)methylidene]-6-methylcyclohexan-1-one
CID 9028586
(6Z)-2-benzyl-6-benzylidenecyclohexan-1-one
CID 23187438
2-[(dimethylamino)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]cyclopentan-1-one
CID 67064582
(5Z)-2-[(dimethylamino)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride
CID 67064907
(2Z,7Z)-2,7-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cycloheptan-1-one
CID 177487942
(2E,6R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-6-phenylcyclohexan-1-one
CID 9042227
3-[(3,4-dimethylphenyl)methyl]azepan-2-one
CID 113440321
N-ethyl-2-[2-methoxy-4-[(E)-[(3S)-3-methyl-2-oxocyclohexylidene]methyl]phenoxy]acetamide
CID 9028988
2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 11366
(6E)-2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 969490
(2E)-2-benzylidene-6-butylcyclohexan-1-one
CID 67745313

Frequently Asked Questions

What is the IUPAC name of (6E)-2-[(3,4-dimethylphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methylidene]cyclohexan-1-one?
The IUPAC name of (6E)-2-[(3,4-dimethylphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methylidene]cyclohexan-1-one (CID 163302819) is (6E)-2-[(3,4-dimethylphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methylidene]cyclohexan-1-one.
What is the SMILES notation for (6E)-2-[(3,4-dimethylphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methylidene]cyclohexan-1-one?
The canonical SMILES for (6E)-2-[(3,4-dimethylphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methylidene]cyclohexan-1-one is COc1cc(/C=C2\CCCC(Cc3ccc(C)c(C)c3)C2=O)ccc1C.
What is the InChIKey of (6E)-2-[(3,4-dimethylphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methylidene]cyclohexan-1-one?
The InChIKey is FJYFJSASGJGZDQ-HYARGMPZSA-N. The full InChI is InChI=1S/C24H28O2/c1-16-8-10-19(12-18(16)3)13-21-6-5-7-22(24(21)25)14-20-11-9-17(2)23(15-20)26-4/h8-12,14-15,21H,5-7,13H2,1-4H3/b22-14+.
What are the key properties of (6E)-2-[(3,4-dimethylphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methylidene]cyclohexan-1-one?
(6E)-2-[(3,4-dimethylphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methylidene]cyclohexan-1-one has a molecular weight of 348.49 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2-[(3,4-dimethylphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methylidene]cyclohexan-1-one is sourced from PubChem (CID 163302819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).