4-phenyl-8H-pyrano[2,3-h]chromen-2-one

C18H12O3 — CID 122184918

IUPAC4-phenyl-8H-pyrano[2,3-h]chromen-2-one
SMILESO=c1cc(-c2ccccc2)c2ccc3c(c2o1)C=CCO3
InChIInChI=1S/C18H12O3/c19-17-11-15(12-5-2-1-3-6-12)13-8-9-16-14(18(13)21-17)7-4-10-20-16/h1-9,11H,10H2
InChIKeyANLRONCIIBPOAX-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.87
Rot. Bonds1

About 4-phenyl-8H-pyrano[2,3-h]chromen-2-one

4-phenyl-8H-pyrano[2,3-h]chromen-2-one (PubChem CID 122184918) has the molecular formula C18H12O3 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-phenyl-8H-pyrano[2,3-h]chromen-2-one.

Molecular Properties

Compound Name4-phenyl-8H-pyrano[2,3-h]chromen-2-one
PubChem CID122184918
Molecular FormulaC18H12O3
Molecular Weight276.29 g/mol
Exact Mass276.08
IUPAC Name4-phenyl-8H-pyrano[2,3-h]chromen-2-one
SMILESO=c1cc(-c2ccccc2)c2ccc3c(c2o1)C=CCO3
InChIInChI=1S/C18H12O3/c19-17-11-15(12-5-2-1-3-6-12)13-8-9-16-14(18(13)21-17)7-4-10-20-16/h1-9,11H,10H2
InChIKeyANLRONCIIBPOAX-UHFFFAOYSA-N
XLogP3.87
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-8H-pyrano[2,3-h]chromen-2-one?
The IUPAC name of 4-phenyl-8H-pyrano[2,3-h]chromen-2-one (CID 122184918) is 4-phenyl-8H-pyrano[2,3-h]chromen-2-one.
What is the SMILES notation for 4-phenyl-8H-pyrano[2,3-h]chromen-2-one?
The canonical SMILES for 4-phenyl-8H-pyrano[2,3-h]chromen-2-one is O=c1cc(-c2ccccc2)c2ccc3c(c2o1)C=CCO3.
What is the InChIKey of 4-phenyl-8H-pyrano[2,3-h]chromen-2-one?
The InChIKey is ANLRONCIIBPOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O3/c19-17-11-15(12-5-2-1-3-6-12)13-8-9-16-14(18(13)21-17)7-4-10-20-16/h1-9,11H,10H2.
What are the key properties of 4-phenyl-8H-pyrano[2,3-h]chromen-2-one?
4-phenyl-8H-pyrano[2,3-h]chromen-2-one has a molecular weight of 276.29 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-8H-pyrano[2,3-h]chromen-2-one is sourced from PubChem (CID 122184918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).