3-chloro-4-methyl-7H-pyrano[2,3-g]chromen-2-one

C13H9ClO3 — CID 10264049

IUPAC3-chloro-4-methyl-7H-pyrano[2,3-g]chromen-2-one
SMILESCc1c(Cl)c(=O)oc2cc3c(cc12)OCC=C3
InChIInChI=1S/C13H9ClO3/c1-7-9-6-10-8(3-2-4-16-10)5-11(9)17-13(15)12(7)14/h2-3,5-6H,4H2,1H3
InChIKeySXDGEXLTYMBWND-UHFFFAOYSA-N
MW248.66 g/mol
LogP3.16
Rot. Bonds

About 3-chloro-4-methyl-7H-pyrano[2,3-g]chromen-2-one

3-chloro-4-methyl-7H-pyrano[2,3-g]chromen-2-one (PubChem CID 10264049) has the molecular formula C13H9ClO3 and a molecular weight of 248.66 g/mol. Its IUPAC name is 3-chloro-4-methyl-7H-pyrano[2,3-g]chromen-2-one.

Molecular Properties

Compound Name3-chloro-4-methyl-7H-pyrano[2,3-g]chromen-2-one
PubChem CID10264049
Molecular FormulaC13H9ClO3
Molecular Weight248.66 g/mol
Exact Mass248.02
IUPAC Name3-chloro-4-methyl-7H-pyrano[2,3-g]chromen-2-one
SMILESCc1c(Cl)c(=O)oc2cc3c(cc12)OCC=C3
InChIInChI=1S/C13H9ClO3/c1-7-9-6-10-8(3-2-4-16-10)5-11(9)17-13(15)12(7)14/h2-3,5-6H,4H2,1H3
InChIKeySXDGEXLTYMBWND-UHFFFAOYSA-N
XLogP3.16
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.66
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

2-(3,6-dichloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 23986916
2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid
CID 67246109
8-methyl-7-(4-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]chromen-6-one
CID 45104752
9-chloro-3-hydroxy-8-methyl-3,4-dihydro-2H-pyrano[3,2-i][1,5]benzodioxepin-10-one
CID 11087264
ethyl (2R)-2-(3,6-dichloro-4-methyl-2-oxochromen-7-yl)oxypropanoate
CID 681430
3,6-dichloro-7-[(4-fluorophenyl)methoxy]-4-methylchromen-2-one
CID 1346941
3-chloro-4-methyl-7-(1-phenylethoxy)chromen-2-one
CID 23936745
3-chloro-7-[dimethylamino(ethoxy)phosphoryl]oxy-4-methylchromen-2-one
CID 11695905
2H-pyrano[3,2-c]chromen-5-one
CID 14174753
2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one
CID 707707
3-chloro-7-hydroxy-4-methylchromen-2-one;oxo(dipropoxy)phosphanium
CID 57348540
3-chloro-4-methyl-7-[methyl(propan-2-yloxy)phosphoryl]oxychromen-2-one
CID 11688527

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-7H-pyrano[2,3-g]chromen-2-one?
The IUPAC name of 3-chloro-4-methyl-7H-pyrano[2,3-g]chromen-2-one (CID 10264049) is 3-chloro-4-methyl-7H-pyrano[2,3-g]chromen-2-one.
What is the SMILES notation for 3-chloro-4-methyl-7H-pyrano[2,3-g]chromen-2-one?
The canonical SMILES for 3-chloro-4-methyl-7H-pyrano[2,3-g]chromen-2-one is Cc1c(Cl)c(=O)oc2cc3c(cc12)OCC=C3.
What is the InChIKey of 3-chloro-4-methyl-7H-pyrano[2,3-g]chromen-2-one?
The InChIKey is SXDGEXLTYMBWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO3/c1-7-9-6-10-8(3-2-4-16-10)5-11(9)17-13(15)12(7)14/h2-3,5-6H,4H2,1H3.
What are the key properties of 3-chloro-4-methyl-7H-pyrano[2,3-g]chromen-2-one?
3-chloro-4-methyl-7H-pyrano[2,3-g]chromen-2-one has a molecular weight of 248.66 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 3-chloro-4-methyl-7H-pyrano[2,3-g]chromen-2-one is sourced from PubChem (CID 10264049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).