2-[(2-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one

C18H18O2S — CID 68642630

IUPAC2-[(2-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one
SMILESCOc1ccccc1C=C1CCC(c2cccs2)CC1=O
InChIInChI=1S/C18H18O2S/c1-20-17-6-3-2-5-14(17)11-13-8-9-15(12-16(13)19)18-7-4-10-21-18/h2-7,10-11,15H,8-9,12H2,1H3
InChIKeyJZMCZWMXDZBPKE-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.68
Rot. Bonds3

About 2-[(2-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one

2-[(2-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one (PubChem CID 68642630) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one
PubChem CID68642630
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name2-[(2-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one
SMILESCOc1ccccc1C=C1CCC(c2cccs2)CC1=O
InChIInChI=1S/C18H18O2S/c1-20-17-6-3-2-5-14(17)11-13-8-9-15(12-16(13)19)18-7-4-10-21-18/h2-7,10-11,15H,8-9,12H2,1H3
InChIKeyJZMCZWMXDZBPKE-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(2-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one?
The IUPAC name of 2-[(2-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one (CID 68642630) is 2-[(2-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one?
The canonical SMILES for 2-[(2-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one is COc1ccccc1C=C1CCC(c2cccs2)CC1=O.
What is the InChIKey of 2-[(2-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one?
The InChIKey is JZMCZWMXDZBPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S/c1-20-17-6-3-2-5-14(17)11-13-8-9-15(12-16(13)19)18-7-4-10-21-18/h2-7,10-11,15H,8-9,12H2,1H3.
What are the key properties of 2-[(2-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one?
2-[(2-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one has a molecular weight of 298.41 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one is sourced from PubChem (CID 68642630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).