6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one

C13H9ClO3 — CID 102406727

IUPAC6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1cc(Cl)c1occ(C)c12
InChIInChI=1S/C13H9ClO3/c1-6-3-10(15)17-12-8(6)4-9(14)13-11(12)7(2)5-16-13/h3-5H,1-2H3
InChIKeyJBUKAMZNTSJQRO-UHFFFAOYSA-N
MW248.66 g/mol
LogP3.81
Rot. Bonds

About 6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one

6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one (PubChem CID 102406727) has the molecular formula C13H9ClO3 and a molecular weight of 248.66 g/mol. Its IUPAC name is 6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one
PubChem CID102406727
Molecular FormulaC13H9ClO3
Molecular Weight248.66 g/mol
Exact Mass248.02
IUPAC Name6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1cc(Cl)c1occ(C)c12
InChIInChI=1S/C13H9ClO3/c1-6-3-10(15)17-12-8(6)4-9(14)13-11(12)7(2)5-16-13/h3-5H,1-2H3
InChIKeyJBUKAMZNTSJQRO-UHFFFAOYSA-N
XLogP3.81
TPSA43.35 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 ≤ 53.81
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
3-tert-butyl-5,9-dimethylfuro[3,2-g]chromen-7-one
CID 907312
N-[9-(4-chloroanilino)-4-methyl-2-oxofuro[2,3-h]chromen-6-yl]acetamide
CID 633348
8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one
CID 22889016
7-chloro-3-methyl-5-phenyl-1-benzofuran
CID 114722792
9-ethyl-5-methylfuro[3,2-g]chromen-7-one
CID 23459775
9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
CID 131858865
4-bromo-7-chloro-3-methyl-1-benzofuran
CID 114722812
17,18-dichloro-7-methyl-4-oxa-12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),6,9,13,15,17,19-nonaen-5-one
CID 102288339
N-(4-methyl-2-oxofuro[2,3-h]chromen-6-yl)formamide
CID 618277
4-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one
CID 627761
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one?
The IUPAC name of 6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one (CID 102406727) is 6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one is Cc1cc(=O)oc2c1cc(Cl)c1occ(C)c12.
What is the InChIKey of 6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one?
The InChIKey is JBUKAMZNTSJQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO3/c1-6-3-10(15)17-12-8(6)4-9(14)13-11(12)7(2)5-16-13/h3-5H,1-2H3.
What are the key properties of 6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one?
6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one has a molecular weight of 248.66 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 102406727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).