2,2-diphenyl-3H-furo[3,2-c]chromen-4-one

C23H16O3 — CID 86000557

IUPAC2,2-diphenyl-3H-furo[3,2-c]chromen-4-one
SMILESO=c1oc2ccccc2c2c1CC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C23H16O3/c24-22-19-15-23(16-9-3-1-4-10-16,17-11-5-2-6-12-17)26-21(19)18-13-7-8-14-20(18)25-22/h1-14H,15H2
InChIKeyVSJDLGGJQNZCBC-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.67
Rot. Bonds2

About 2,2-diphenyl-3H-furo[3,2-c]chromen-4-one

2,2-diphenyl-3H-furo[3,2-c]chromen-4-one (PubChem CID 86000557) has the molecular formula C23H16O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2,2-diphenyl-3H-furo[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2,2-diphenyl-3H-furo[3,2-c]chromen-4-one
PubChem CID86000557
Molecular FormulaC23H16O3
Molecular Weight340.38 g/mol
Exact Mass340.11
IUPAC Name2,2-diphenyl-3H-furo[3,2-c]chromen-4-one
SMILESO=c1oc2ccccc2c2c1CC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C23H16O3/c24-22-19-15-23(16-9-3-1-4-10-16,17-11-5-2-6-12-17)26-21(19)18-13-7-8-14-20(18)25-22/h1-14H,15H2
InChIKeyVSJDLGGJQNZCBC-UHFFFAOYSA-N
XLogP4.67
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 139068634
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2H-pyrano[3,2-c]chromen-5-one
CID 14174753
(11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione
CID 11022018
1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
CID 13136922
2-morpholin-4-yl-3-phenacylidene-2-phenylfuro[3,2-c]chromen-4-one
CID 133083422
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CID 14092029
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CID 13244741
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CID 164686583
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one
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CID 629843

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-3H-furo[3,2-c]chromen-4-one?
The IUPAC name of 2,2-diphenyl-3H-furo[3,2-c]chromen-4-one (CID 86000557) is 2,2-diphenyl-3H-furo[3,2-c]chromen-4-one.
What is the SMILES notation for 2,2-diphenyl-3H-furo[3,2-c]chromen-4-one?
The canonical SMILES for 2,2-diphenyl-3H-furo[3,2-c]chromen-4-one is O=c1oc2ccccc2c2c1CC(c1ccccc1)(c1ccccc1)O2.
What is the InChIKey of 2,2-diphenyl-3H-furo[3,2-c]chromen-4-one?
The InChIKey is VSJDLGGJQNZCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O3/c24-22-19-15-23(16-9-3-1-4-10-16,17-11-5-2-6-12-17)26-21(19)18-13-7-8-14-20(18)25-22/h1-14H,15H2.
What are the key properties of 2,2-diphenyl-3H-furo[3,2-c]chromen-4-one?
2,2-diphenyl-3H-furo[3,2-c]chromen-4-one has a molecular weight of 340.38 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-3H-furo[3,2-c]chromen-4-one is sourced from PubChem (CID 86000557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).