2-[(3-cyclohexylphenyl)methylidene]cyclohexan-1-one

C19H24O — CID 68643139

IUPAC2-[(3-cyclohexylphenyl)methylidene]cyclohexan-1-one
SMILESO=C1CCCCC1=Cc1cccc(C2CCCCC2)c1
InChIInChI=1S/C19H24O/c20-19-12-5-4-10-18(19)14-15-7-6-11-17(13-15)16-8-2-1-3-9-16/h6-7,11,13-14,16H,1-5,8-10,12H2
InChIKeyKYWWPQCGHYFHFI-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.26
Rot. Bonds2

About 2-[(3-cyclohexylphenyl)methylidene]cyclohexan-1-one

2-[(3-cyclohexylphenyl)methylidene]cyclohexan-1-one (PubChem CID 68643139) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[(3-cyclohexylphenyl)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(3-cyclohexylphenyl)methylidene]cyclohexan-1-one
PubChem CID68643139
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name2-[(3-cyclohexylphenyl)methylidene]cyclohexan-1-one
SMILESO=C1CCCCC1=Cc1cccc(C2CCCCC2)c1
InChIInChI=1S/C19H24O/c20-19-12-5-4-10-18(19)14-15-7-6-11-17(13-15)16-8-2-1-3-9-16/h6-7,11,13-14,16H,1-5,8-10,12H2
InChIKeyKYWWPQCGHYFHFI-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexylphenyl)methylidene]cyclohexan-1-one?
The IUPAC name of 2-[(3-cyclohexylphenyl)methylidene]cyclohexan-1-one (CID 68643139) is 2-[(3-cyclohexylphenyl)methylidene]cyclohexan-1-one.
What is the SMILES notation for 2-[(3-cyclohexylphenyl)methylidene]cyclohexan-1-one?
The canonical SMILES for 2-[(3-cyclohexylphenyl)methylidene]cyclohexan-1-one is O=C1CCCCC1=Cc1cccc(C2CCCCC2)c1.
What is the InChIKey of 2-[(3-cyclohexylphenyl)methylidene]cyclohexan-1-one?
The InChIKey is KYWWPQCGHYFHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c20-19-12-5-4-10-18(19)14-15-7-6-11-17(13-15)16-8-2-1-3-9-16/h6-7,11,13-14,16H,1-5,8-10,12H2.
What are the key properties of 2-[(3-cyclohexylphenyl)methylidene]cyclohexan-1-one?
2-[(3-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 2-[(3-cyclohexylphenyl)methylidene]cyclohexan-1-one is sourced from PubChem (CID 68643139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).