4,5-dimethylfuro[3,2-g]chromen-7-one

C13H10O3 — CID 22367452

IUPAC4,5-dimethylfuro[3,2-g]chromen-7-one
SMILESCc1cc(=O)oc2cc3occc3c(C)c12
InChIInChI=1S/C13H10O3/c1-7-5-12(14)16-11-6-10-9(3-4-15-10)8(2)13(7)11/h3-6H,1-2H3
InChIKeyQWQWDDSQFCHKCI-UHFFFAOYSA-N
MW214.22 g/mol
LogP3.16
Rot. Bonds

About 4,5-dimethylfuro[3,2-g]chromen-7-one

4,5-dimethylfuro[3,2-g]chromen-7-one (PubChem CID 22367452) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4,5-dimethylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4,5-dimethylfuro[3,2-g]chromen-7-one
PubChem CID22367452
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name4,5-dimethylfuro[3,2-g]chromen-7-one
SMILESCc1cc(=O)oc2cc3occc3c(C)c12
InChIInChI=1S/C13H10O3/c1-7-5-12(14)16-11-6-10-9(3-4-15-10)8(2)13(7)11/h3-6H,1-2H3
InChIKeyQWQWDDSQFCHKCI-UHFFFAOYSA-N
XLogP3.16
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 53.16
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

4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
4,5,6-trimethoxyfuro[3,2-g]chromen-7-one
CID 623929
(7-oxofuro[3,2-g]chromen-4-yl) acetate
CID 802311
9-methyl-3H-pyrano[3,2-e]indol-7-one
CID 11708244
6-iodo-5-methoxy-4-methylchromen-2-one
CID 121217791
4-propoxyfuro[3,2-g]chromen-7-one
CID 86101667
5-methoxy-4-methylchromen-2-one
CID 11286956
2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one
CID 46197759
5,6-diamino-7-hydroxy-4-methylchromen-2-one
CID 171843857
4-methylfuro[3,2-e][1]benzofuran
CID 170151915
(7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate
CID 170648795
4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one
CID 125486556

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylfuro[3,2-g]chromen-7-one?
The IUPAC name of 4,5-dimethylfuro[3,2-g]chromen-7-one (CID 22367452) is 4,5-dimethylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 4,5-dimethylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 4,5-dimethylfuro[3,2-g]chromen-7-one is Cc1cc(=O)oc2cc3occc3c(C)c12.
What is the InChIKey of 4,5-dimethylfuro[3,2-g]chromen-7-one?
The InChIKey is QWQWDDSQFCHKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c1-7-5-12(14)16-11-6-10-9(3-4-15-10)8(2)13(7)11/h3-6H,1-2H3.
What are the key properties of 4,5-dimethylfuro[3,2-g]chromen-7-one?
4,5-dimethylfuro[3,2-g]chromen-7-one has a molecular weight of 214.22 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 22367452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).