4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one

C17H12O3 — CID 125486556

IUPAC4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one
SMILESCc1ccc2c(c1)oc1cc3oc(=O)cc(C)c3cc12
InChIInChI=1S/C17H12O3/c1-9-3-4-11-13-7-12-10(2)6-17(18)20-15(12)8-16(13)19-14(11)5-9/h3-8H,1-2H3
InChIKeyIYQRZYOYHXRBEX-UHFFFAOYSA-N
MW264.28 g/mol
LogP4.31
Rot. Bonds

About 4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one

4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one (PubChem CID 125486556) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one.

Molecular Properties

Compound Name4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one
PubChem CID125486556
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one
SMILESCc1ccc2c(c1)oc1cc3oc(=O)cc(C)c3cc12
InChIInChI=1S/C17H12O3/c1-9-3-4-11-13-7-12-10(2)6-17(18)20-15(12)8-16(13)19-14(11)5-9/h3-8H,1-2H3
InChIKeyIYQRZYOYHXRBEX-UHFFFAOYSA-N
XLogP4.31
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 54.31
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

8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one
CID 10545292
4,6-dimethylchromen-2-one;molecular hydrogen
CID 143310046
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
7-methyl-4-propan-2-ylchromen-2-one
CID 89182688
2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one
CID 46197759
CID 89064299
CID 89064299
7-methyl-2-oxochromene-4-carboxylic acid
CID 12820478
7-methyl-4-(methylaminomethyl)chromen-2-one
CID 27153679
2-methyl-8-(7-methyldibenzofuran-2-yl)dibenzofuran
CID 59359477
7-methyl-4-[(4-methylphenyl)sulfanylmethyl]chromen-2-one
CID 16528189
7-ethyl-4-methylchromen-2-one
CID 5160585
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one?
The IUPAC name of 4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one (CID 125486556) is 4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one.
What is the SMILES notation for 4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one?
The canonical SMILES for 4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one is Cc1ccc2c(c1)oc1cc3oc(=O)cc(C)c3cc12.
What is the InChIKey of 4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one?
The InChIKey is IYQRZYOYHXRBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c1-9-3-4-11-13-7-12-10(2)6-17(18)20-15(12)8-16(13)19-14(11)5-9/h3-8H,1-2H3.
What are the key properties of 4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one?
4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one has a molecular weight of 264.28 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one is sourced from PubChem (CID 125486556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).