3-(4-methoxyanilino)-5-phenylcyclohex-2-en-1-one

C19H19NO2 — CID 2834828

IUPAC3-(4-methoxyanilino)-5-phenylcyclohex-2-en-1-one
SMILESCOc1ccc(NC2=CC(=O)CC(c3ccccc3)C2)cc1
InChIInChI=1S/C19H19NO2/c1-22-19-9-7-16(8-10-19)20-17-11-15(12-18(21)13-17)14-5-3-2-4-6-14/h2-10,13,15,20H,11-12H2,1H3
InChIKeyZKGDHADDXRBATK-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.14
Rot. Bonds4

About 3-(4-methoxyanilino)-5-phenylcyclohex-2-en-1-one

3-(4-methoxyanilino)-5-phenylcyclohex-2-en-1-one (PubChem CID 2834828) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-methoxyanilino)-5-phenylcyclohex-2-en-1-one
PubChem CID2834828
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name3-(4-methoxyanilino)-5-phenylcyclohex-2-en-1-one
SMILESCOc1ccc(NC2=CC(=O)CC(c3ccccc3)C2)cc1
InChIInChI=1S/C19H19NO2/c1-22-19-9-7-16(8-10-19)20-17-11-15(12-18(21)13-17)14-5-3-2-4-6-14/h2-10,13,15,20H,11-12H2,1H3
InChIKeyZKGDHADDXRBATK-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-5-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-(4-methoxyanilino)-5-phenylcyclohex-2-en-1-one (CID 2834828) is 3-(4-methoxyanilino)-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-methoxyanilino)-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-(4-methoxyanilino)-5-phenylcyclohex-2-en-1-one is COc1ccc(NC2=CC(=O)CC(c3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-5-phenylcyclohex-2-en-1-one?
The InChIKey is ZKGDHADDXRBATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-22-19-9-7-16(8-10-19)20-17-11-15(12-18(21)13-17)14-5-3-2-4-6-14/h2-10,13,15,20H,11-12H2,1H3.
What are the key properties of 3-(4-methoxyanilino)-5-phenylcyclohex-2-en-1-one?
3-(4-methoxyanilino)-5-phenylcyclohex-2-en-1-one has a molecular weight of 293.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 2834828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).