8-(4-chlorophenyl)-7-hydroxy-6-phenyl-2,3-dihydro-1H-indolizin-5-one

C20H16ClNO2 — CID 54691172

IUPAC8-(4-chlorophenyl)-7-hydroxy-6-phenyl-2,3-dihydro-1H-indolizin-5-one
SMILESO=c1c(-c2ccccc2)c(O)c(-c2ccc(Cl)cc2)c2n1CCC2
InChIInChI=1S/C20H16ClNO2/c21-15-10-8-14(9-11-15)17-16-7-4-12-22(16)20(24)18(19(17)23)13-5-2-1-3-6-13/h1-3,5-6,8-11,23H,4,7,12H2
InChIKeyVXUAQDNSVWBWPD-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.49
Rot. Bonds2

About 8-(4-chlorophenyl)-7-hydroxy-6-phenyl-2,3-dihydro-1H-indolizin-5-one

8-(4-chlorophenyl)-7-hydroxy-6-phenyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 54691172) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-7-hydroxy-6-phenyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)-7-hydroxy-6-phenyl-2,3-dihydro-1H-indolizin-5-one
PubChem CID54691172
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC Name8-(4-chlorophenyl)-7-hydroxy-6-phenyl-2,3-dihydro-1H-indolizin-5-one
SMILESO=c1c(-c2ccccc2)c(O)c(-c2ccc(Cl)cc2)c2n1CCC2
InChIInChI=1S/C20H16ClNO2/c21-15-10-8-14(9-11-15)17-16-7-4-12-22(16)20(24)18(19(17)23)13-5-2-1-3-6-13/h1-3,5-6,8-11,23H,4,7,12H2
InChIKeyVXUAQDNSVWBWPD-UHFFFAOYSA-N
XLogP4.49
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-fluorophenyl)-1-[2-(3-fluorophenyl)ethyl]pyrrolidine-2,3-dione
CID 126842870
Cambridge id 5785609
CID 2868183
Cambridge id 5908558
CID 2875747
Cambridge id 6733927
CID 2912340
1-allyl-4-benzoyl-5-(2-chlorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 5762688
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
CID 23993349
6-Butyl-7-hydroxy-8-phenyl-1,2,3-trihydroindolizin-5-one
CID 54691168
7-Hydroxy-6-benzyl-8-phenyl-1,2,3-trihydroindolizin-5-one
CID 54691171
4-(4-Chloro-benzoyl)-5-(4-chloro-phenyl)-3-hydroxy-1-methyl-1,5-dihydro-pyrrol-2-one
CID 5292426
1-Benzyl-3-(4-chlorophenyl)-5-hydroxy-5-phenylpyrrol-2-one
CID 72546124
[3-(4-Chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl2,5-dihydro-1h-pyrrol-1-yl]acetonitrile
CID 138858221
(5S)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
CID 1038390

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-7-hydroxy-6-phenyl-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 8-(4-chlorophenyl)-7-hydroxy-6-phenyl-2,3-dihydro-1H-indolizin-5-one (CID 54691172) is 8-(4-chlorophenyl)-7-hydroxy-6-phenyl-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 8-(4-chlorophenyl)-7-hydroxy-6-phenyl-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 8-(4-chlorophenyl)-7-hydroxy-6-phenyl-2,3-dihydro-1H-indolizin-5-one is O=c1c(-c2ccccc2)c(O)c(-c2ccc(Cl)cc2)c2n1CCC2.
What is the InChIKey of 8-(4-chlorophenyl)-7-hydroxy-6-phenyl-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is VXUAQDNSVWBWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2/c21-15-10-8-14(9-11-15)17-16-7-4-12-22(16)20(24)18(19(17)23)13-5-2-1-3-6-13/h1-3,5-6,8-11,23H,4,7,12H2.
What are the key properties of 8-(4-chlorophenyl)-7-hydroxy-6-phenyl-2,3-dihydro-1H-indolizin-5-one?
8-(4-chlorophenyl)-7-hydroxy-6-phenyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 337.81 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-7-hydroxy-6-phenyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 54691172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).