2-[(4-cyclohexyloxyphenyl)methylidene]cyclohexan-1-one

C19H24O2 — CID 68642854

IUPAC2-[(4-cyclohexyloxyphenyl)methylidene]cyclohexan-1-one
SMILESO=C1CCCCC1=Cc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C19H24O2/c20-19-9-5-4-6-16(19)14-15-10-12-18(13-11-15)21-17-7-2-1-3-8-17/h10-14,17H,1-9H2
InChIKeyIZCARYRKTREAAZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.92
Rot. Bonds3

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

2-[(4-cyclohexyloxyphenyl)methylidene]cyclohexan-1-one (PubChem CID 68642854) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(4-cyclohexyloxyphenyl)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(4-cyclohexyloxyphenyl)methylidene]cyclohexan-1-one
PubChem CID68642854
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-[(4-cyclohexyloxyphenyl)methylidene]cyclohexan-1-one
SMILESO=C1CCCCC1=Cc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C19H24O2/c20-19-9-5-4-6-16(19)14-15-10-12-18(13-11-15)21-17-7-2-1-3-8-17/h10-14,17H,1-9H2
InChIKeyIZCARYRKTREAAZ-UHFFFAOYSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(4-cyclohexyloxyphenyl)methylidene]cyclohexan-1-one?
The IUPAC name of 2-[(4-cyclohexyloxyphenyl)methylidene]cyclohexan-1-one (CID 68642854) is 2-[(4-cyclohexyloxyphenyl)methylidene]cyclohexan-1-one.
What is the SMILES notation for 2-[(4-cyclohexyloxyphenyl)methylidene]cyclohexan-1-one?
The canonical SMILES for 2-[(4-cyclohexyloxyphenyl)methylidene]cyclohexan-1-one is O=C1CCCCC1=Cc1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 2-[(4-cyclohexyloxyphenyl)methylidene]cyclohexan-1-one?
The InChIKey is IZCARYRKTREAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c20-19-9-5-4-6-16(19)14-15-10-12-18(13-11-15)21-17-7-2-1-3-8-17/h10-14,17H,1-9H2.
What are the key properties of 2-[(4-cyclohexyloxyphenyl)methylidene]cyclohexan-1-one?
2-[(4-cyclohexyloxyphenyl)methylidene]cyclohexan-1-one has a molecular weight of 284.40 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexyloxyphenyl)methylidene]cyclohexan-1-one is sourced from PubChem (CID 68642854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).