(2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one

C19H24O — CID 68642647

IUPAC(2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one
SMILESO=C1CCCC/C1=C/c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H24O/c20-19-9-5-4-8-18(19)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h10-14,16H,1-9H2/b18-14-
InChIKeyVYXJENVNRMGBDW-JXAWBTAJSA-N
MW268.40 g/mol
LogP5.26
Rot. Bonds2

About (2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one

(2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one (PubChem CID 68642647) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is (2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one
PubChem CID68642647
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name(2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one
SMILESO=C1CCCC/C1=C/c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H24O/c20-19-9-5-4-8-18(19)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h10-14,16H,1-9H2/b18-14-
InChIKeyVYXJENVNRMGBDW-JXAWBTAJSA-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-[(3-cyclohexylphenyl)methylidene]cyclohexan-1-one
CID 68643139
2-[(4-cyclohexyloxyphenyl)methylidene]cyclohexan-1-one
CID 68642854
(2E)-2-[(4-chlorophenyl)methylidene]cyclooctan-1-one
CID 12682640
2-[(4-fluorophenyl)methylidene]cyclohexan-1-one
CID 54228214
(2Z)-2-[(4-chlorophenyl)methylidene]cyclohexan-1-one
CID 6450877
2-[(4-tert-butylphenyl)methylidene]cyclohexan-1-one
CID 72644283
4-cycloheptylbenzaldehyde
CID 21484445
4-cyclooctylbenzaldehyde
CID 12923818
(2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one
CID 122707370
(2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one
CID 68643049
(2Z)-2-[(4-nitrophenyl)methylidene]cyclohexan-1-one
CID 54600271
2-[(4-pyridin-4-ylphenyl)methylidene]cyclohexan-1-one
CID 175427609

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one?
The IUPAC name of (2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one (CID 68642647) is (2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one.
What is the SMILES notation for (2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one?
The canonical SMILES for (2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one is O=C1CCCC/C1=C/c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one?
The InChIKey is VYXJENVNRMGBDW-JXAWBTAJSA-N. The full InChI is InChI=1S/C19H24O/c20-19-9-5-4-8-18(19)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h10-14,16H,1-9H2/b18-14-.
What are the key properties of (2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one?
(2Z)-2-[(4-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 (2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one is sourced from PubChem (CID 68642647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).