2H-pyrano[3,2-c]chromen-5-one

C12H8O3 — CID 14174753

IUPAC2H-pyrano[3,2-c]chromen-5-one
SMILESO=c1oc2ccccc2c2c1C=CCO2
InChIInChI=1S/C12H8O3/c13-12-9-5-3-7-14-11(9)8-4-1-2-6-10(8)15-12/h1-6H,7H2
InChIKeyRJHDHCAQGSQPKA-UHFFFAOYSA-N
MW200.19 g/mol
LogP2.20
Rot. Bonds

About 2H-pyrano[3,2-c]chromen-5-one

2H-pyrano[3,2-c]chromen-5-one (PubChem CID 14174753) has the molecular formula C12H8O3 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2H-pyrano[3,2-c]chromen-5-one.

Molecular Properties

Compound Name2H-pyrano[3,2-c]chromen-5-one
PubChem CID14174753
Molecular FormulaC12H8O3
Molecular Weight200.19 g/mol
Exact Mass200.05
IUPAC Name2H-pyrano[3,2-c]chromen-5-one
SMILESO=c1oc2ccccc2c2c1C=CCO2
InChIInChI=1S/C12H8O3/c13-12-9-5-3-7-14-11(9)8-4-1-2-6-10(8)15-12/h1-6H,7H2
InChIKeyRJHDHCAQGSQPKA-UHFFFAOYSA-N
XLogP2.20
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2H-pyrano[3,2-c]chromen-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,10-dimethoxy-2H-benzo[g]chromene
CID 102040461
1,2-dihydrochromeno[4,3-b]pyridin-5-one
CID 146170101
2H-benzo[h]chromen-5-ol
CID 175692788
2,2-diphenyl-3H-furo[3,2-c]chromen-4-one
CID 86000557
5-(bromomethyl)-3H-benzo[f]chromene
CID 101247815
2-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 141108522
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
1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
CID 13136922
3,4-diethylchromen-2-one
CID 11680028
3-(4-methylphenyl)-2,3,4,5-tetrahydrooxepino[3,2-c]chromen-6-one
CID 14092029
(2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one
CID 139068634
4-hydroxy-3-sulfanylchromen-2-one
CID 54676635

Frequently Asked Questions

What is the IUPAC name of 2H-pyrano[3,2-c]chromen-5-one?
The IUPAC name of 2H-pyrano[3,2-c]chromen-5-one (CID 14174753) is 2H-pyrano[3,2-c]chromen-5-one.
What is the SMILES notation for 2H-pyrano[3,2-c]chromen-5-one?
The canonical SMILES for 2H-pyrano[3,2-c]chromen-5-one is O=c1oc2ccccc2c2c1C=CCO2.
What is the InChIKey of 2H-pyrano[3,2-c]chromen-5-one?
The InChIKey is RJHDHCAQGSQPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3/c13-12-9-5-3-7-14-11(9)8-4-1-2-6-10(8)15-12/h1-6H,7H2.
What are the key properties of 2H-pyrano[3,2-c]chromen-5-one?
2H-pyrano[3,2-c]chromen-5-one has a molecular weight of 200.19 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrano[3,2-c]chromen-5-one is sourced from PubChem (CID 14174753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).