(2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one

C20H20O2 — CID 68642813

IUPAC(2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one
SMILESCOc1ccc(/C=C2\C(=O)CCCC2c2ccccc2)cc1
InChIInChI=1S/C20H20O2/c1-22-17-12-10-15(11-13-17)14-19-18(8-5-9-20(19)21)16-6-3-2-4-7-16/h2-4,6-7,10-14,18H,5,8-9H2,1H3/b19-14-
InChIKeyBLNWXKMMQWARGX-RGEXLXHISA-N
MW292.38 g/mol
LogP4.62
Rot. Bonds3

About (2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one

(2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one (PubChem CID 68642813) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one
PubChem CID68642813
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name(2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one
SMILESCOc1ccc(/C=C2\C(=O)CCCC2c2ccccc2)cc1
InChIInChI=1S/C20H20O2/c1-22-17-12-10-15(11-13-17)14-19-18(8-5-9-20(19)21)16-6-3-2-4-7-16/h2-4,6-7,10-14,18H,5,8-9H2,1H3/b19-14-
InChIKeyBLNWXKMMQWARGX-RGEXLXHISA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.62
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 (2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one?
The IUPAC name of (2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one (CID 68642813) is (2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one.
What is the SMILES notation for (2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one?
The canonical SMILES for (2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one is COc1ccc(/C=C2\C(=O)CCCC2c2ccccc2)cc1.
What is the InChIKey of (2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one?
The InChIKey is BLNWXKMMQWARGX-RGEXLXHISA-N. The full InChI is InChI=1S/C20H20O2/c1-22-17-12-10-15(11-13-17)14-19-18(8-5-9-20(19)21)16-6-3-2-4-7-16/h2-4,6-7,10-14,18H,5,8-9H2,1H3/b19-14-.
What are the key properties of (2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one?
(2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one has a molecular weight of 292.38 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one is sourced from PubChem (CID 68642813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).