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

C24H21NO2 — CID 1022756

IUPAC(5R)-3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one
SMILESO=C1C=C(Nc2ccccc2Oc2ccccc2)C[C@@H](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/t19-/m1/s1
InChIKeyQQCHBWYAEFSFIG-LJQANCHMSA-N
MW355.44 g/mol
LogP5.92
Rot. Bonds5

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

(5R)-3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one (PubChem CID 1022756) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (5R)-3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one
PubChem CID1022756
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name(5R)-3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one
SMILESO=C1C=C(Nc2ccccc2Oc2ccccc2)C[C@@H](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/t19-/m1/s1
InChIKeyQQCHBWYAEFSFIG-LJQANCHMSA-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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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one?
The IUPAC name of (5R)-3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one (CID 1022756) is (5R)-3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for (5R)-3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for (5R)-3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one is O=C1C=C(Nc2ccccc2Oc2ccccc2)C[C@@H](c2ccccc2)C1.
What is the InChIKey of (5R)-3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one?
The InChIKey is QQCHBWYAEFSFIG-LJQANCHMSA-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/t19-/m1/s1.
What are the key properties of (5R)-3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one?
(5R)-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 (5R)-3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 1022756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).