(2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one

C19H24O — CID 68643049

IUPAC(2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one
SMILESO=C1CCCC/C1=C\c1ccccc1C1CCCCC1
InChIInChI=1S/C19H24O/c20-19-13-7-5-11-17(19)14-16-10-4-6-12-18(16)15-8-2-1-3-9-15/h4,6,10,12,14-15H,1-3,5,7-9,11,13H2/b17-14+
InChIKeyKTSLHMXBOORQOH-SAPNQHFASA-N
MW268.40 g/mol
LogP5.26
Rot. Bonds2

About (2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one

(2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one (PubChem CID 68643049) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is (2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one
PubChem CID68643049
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name(2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one
SMILESO=C1CCCC/C1=C\c1ccccc1C1CCCCC1
InChIInChI=1S/C19H24O/c20-19-13-7-5-11-17(19)14-16-10-4-6-12-18(16)15-8-2-1-3-9-15/h4,6,10,12,14-15H,1-3,5,7-9,11,13H2/b17-14+
InChIKeyKTSLHMXBOORQOH-SAPNQHFASA-N
XLogP5.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.26
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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Related Compounds

2-cyclodecylbenzaldehyde
CID 142358507
(2E)-2-[(2-nitrophenyl)methylidene]cycloheptan-1-one
CID 177442895
(2Z)-2-[(2-fluorophenyl)methylidene]cyclohexan-1-one
CID 68643063
(2Z)-2-[(2-iodophenyl)methylidene]cyclohexan-1-one
CID 68643112
(2E)-2-[(2-chlorophenyl)methylidene]cyclohexan-1-one
CID 5374995
(2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one
CID 68642647
2-[(3-cyclohexylphenyl)methylidene]cyclohexan-1-one
CID 68643139
(2Z)-2-[(2,3-dimethylphenyl)methylidene]cyclohexan-1-one
CID 68642758
2-[(2-propan-2-yloxyphenyl)methylidene]cyclohexan-1-one
CID 68643041
2-[(2-butylphenyl)methylidene]cyclohexan-1-one
CID 68642804
2-(2-cyclobutylphenyl)cycloheptan-1-one
CID 114605768
11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one
CID 134861406

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one?
The IUPAC name of (2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one (CID 68643049) is (2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one.
What is the SMILES notation for (2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one?
The canonical SMILES for (2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one is O=C1CCCC/C1=C\c1ccccc1C1CCCCC1.
What is the InChIKey of (2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one?
The InChIKey is KTSLHMXBOORQOH-SAPNQHFASA-N. The full InChI is InChI=1S/C19H24O/c20-19-13-7-5-11-17(19)14-16-10-4-6-12-18(16)15-8-2-1-3-9-15/h4,6,10,12,14-15H,1-3,5,7-9,11,13H2/b17-14+.
What are the key properties of (2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one?
(2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one has a molecular weight of 268.40 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one is sourced from PubChem (CID 68643049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).