3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one

C24H21NO2 — CID 594957

IUPAC3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one
SMILESO=C1C=C(Nc2ccccc2Oc2ccccc2)CC(c2ccccc2)C1
InChIInChI=1S/C24H21NO2/c26-21-16-19(18-9-3-1-4-10-18)15-20(17-21)25-23-13-7-8-14-24(23)27-22-11-5-2-6-12-22/h1-14,17,19,25H,15-16H2
InChIKeyQQCHBWYAEFSFIG-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.92
Rot. Bonds5

About 3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one

3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one (PubChem CID 594957) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one
PubChem CID594957
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one
SMILESO=C1C=C(Nc2ccccc2Oc2ccccc2)CC(c2ccccc2)C1
InChIInChI=1S/C24H21NO2/c26-21-16-19(18-9-3-1-4-10-18)15-20(17-21)25-23-13-7-8-14-24(23)27-22-11-5-2-6-12-22/h1-14,17,19,25H,15-16H2
InChIKeyQQCHBWYAEFSFIG-UHFFFAOYSA-N
XLogP5.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one
CID 1022756
(5R)-3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one
CID 869711
3-(2,5-dimethoxyanilino)-5-phenylcyclohex-2-en-1-one
CID 3975103
5-phenyl-3-(2-pyrrolidin-1-ylanilino)cyclohex-2-en-1-one
CID 168515485
(5R)-5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one
CID 1128178
5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one
CID 3134430
3-[(3-oxo-5-phenylcyclohexen-1-yl)amino]thiophene-2-carbonitrile
CID 44613966
3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]anilino]-5-phenylcyclohex-2-en-1-one
CID 168580888
(5R)-3-[6-[[(5S)-3-oxo-5-phenylcyclohexen-1-yl]amino]hexylamino]-5-phenylcyclohex-2-en-1-one
CID 99641197
(5S)-3-(2-aminoanilino)-5-(3,4-dimethoxyphenyl)cyclohex-2-en-1-one
CID 1417385
tert-butyl N-[[(5R)-3-oxo-5-phenylcyclohexen-1-yl]amino]carbamate
CID 878364
N'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide
CID 1274909

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one (CID 594957) is 3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one is O=C1C=C(Nc2ccccc2Oc2ccccc2)CC(c2ccccc2)C1.
What is the InChIKey of 3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one?
The InChIKey is QQCHBWYAEFSFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c26-21-16-19(18-9-3-1-4-10-18)15-20(17-21)25-23-13-7-8-14-24(23)27-22-11-5-2-6-12-22/h1-14,17,19,25H,15-16H2.
What are the key properties of 3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one?
3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one has a molecular weight of 355.44 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 594957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).