3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one

C22H15ClO3 — CID 132532149

IUPAC3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one
SMILESO=C1OC(O)(c2ccccc2)C(c2ccccc2)=C1c1ccc(Cl)cc1
InChIInChI=1S/C22H15ClO3/c23-18-13-11-15(12-14-18)19-20(16-7-3-1-4-8-16)22(25,26-21(19)24)17-9-5-2-6-10-17/h1-14,25H
InChIKeyIDWKEEZTFLMORP-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.65
Rot. Bonds3

About 3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one

3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one (PubChem CID 132532149) has the molecular formula C22H15ClO3 and a molecular weight of 362.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one
PubChem CID132532149
Molecular FormulaC22H15ClO3
Molecular Weight362.81 g/mol
Exact Mass362.07
IUPAC Name3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one
SMILESO=C1OC(O)(c2ccccc2)C(c2ccccc2)=C1c1ccc(Cl)cc1
InChIInChI=1S/C22H15ClO3/c23-18-13-11-15(12-14-18)19-20(16-7-3-1-4-8-16)22(25,26-21(19)24)17-9-5-2-6-10-17/h1-14,25H
InChIKeyIDWKEEZTFLMORP-UHFFFAOYSA-N
XLogP4.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-(4-chlorophenyl)-4-phenyl-5-(pyrrolidine-1-carbonyl)furan-2-one
CID 155933500
4-benzyl-5-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxyfuran-2-one
CID 15887453
(4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
CID 70037236
3-hydroxy-3-phenyl-2-benzofuran-1-one
CID 12677389
3-[4-(hydroxymethyl)phenyl]-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione
CID 118723716
(2S)-6-(4-chlorophenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one
CID 1294536
methyl 2-amino-3-(4-chlorophenyl)-4-(4-nitrophenyl)-5-oxofuran-2-carboxylate
CID 155933498
3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene
CID 135024717
2-chloro-3-phenylcyclohexa-2,5-diene-1,4-dione
CID 86013864
ethyl (E)-3-[(2R)-5-oxo-2,3,4-triphenylfuran-2-yl]prop-2-enoate
CID 154720830
(4R,5S,7R,7aR)-7a-hydroxy-4,5,7-trimethyl-3,7-diphenyl-4,5-dihydrofuro[2,3-c]pyran-2-one
CID 11337057
2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one
CID 12861079

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one?
The IUPAC name of 3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one (CID 132532149) is 3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one is O=C1OC(O)(c2ccccc2)C(c2ccccc2)=C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one?
The InChIKey is IDWKEEZTFLMORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClO3/c23-18-13-11-15(12-14-18)19-20(16-7-3-1-4-8-16)22(25,26-21(19)24)17-9-5-2-6-10-17/h1-14,25H.
What are the key properties of 3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one?
3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one has a molecular weight of 362.81 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one is sourced from PubChem (CID 132532149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).