5,7-dichloro-3-methyl-1-benzofuran

C9H6Cl2O — CID 118564171

IUPAC5,7-dichloro-3-methyl-1-benzofuran
SMILESCc1coc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C9H6Cl2O/c1-5-4-12-9-7(5)2-6(10)3-8(9)11/h2-4H,1H3
InChIKeyCEJSWCFYMTVSRT-UHFFFAOYSA-N
MW201.05 g/mol
LogP4.05
Rot. Bonds

About 5,7-dichloro-3-methyl-1-benzofuran

5,7-dichloro-3-methyl-1-benzofuran (PubChem CID 118564171) has the molecular formula C9H6Cl2O and a molecular weight of 201.05 g/mol. Its IUPAC name is 5,7-dichloro-3-methyl-1-benzofuran.

Molecular Properties

Compound Name5,7-dichloro-3-methyl-1-benzofuran
PubChem CID118564171
Molecular FormulaC9H6Cl2O
Molecular Weight201.05 g/mol
Exact Mass199.98
IUPAC Name5,7-dichloro-3-methyl-1-benzofuran
SMILESCc1coc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C9H6Cl2O/c1-5-4-12-9-7(5)2-6(10)3-8(9)11/h2-4H,1H3
InChIKeyCEJSWCFYMTVSRT-UHFFFAOYSA-N
XLogP4.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,7,8-Pentachlorodibenzofuran
CID 42128
2,3,4,6,7,8-Hexachlorodibenzofuran
CID 43495
2,3,4,7-Tetrachlorodibenzofuran
CID 55111
2-Chlorodibenzofuran
CID 32781
2,3,6,8-Tetrachlorodibenzofuran
CID 42134
2,3,4,6-Tetrachlorodibenzofuran
CID 44101
1,2,3,6-Tetrachlorodibenzofuran
CID 55103
2,8-Dichlorodibenzofuran
CID 21510
2,3,4,8-Tetrachlorodibenzofuran
CID 55112
1,3,6,7,8-Pentachlorodibenzofuran
CID 51126
2,6,7-Trichlorodibenzofuran
CID 55125
1,2,4,8-Tetrachlorodibenzofuran
CID 47300

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-methyl-1-benzofuran?
The IUPAC name of 5,7-dichloro-3-methyl-1-benzofuran (CID 118564171) is 5,7-dichloro-3-methyl-1-benzofuran.
What is the SMILES notation for 5,7-dichloro-3-methyl-1-benzofuran?
The canonical SMILES for 5,7-dichloro-3-methyl-1-benzofuran is Cc1coc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 5,7-dichloro-3-methyl-1-benzofuran?
The InChIKey is CEJSWCFYMTVSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2O/c1-5-4-12-9-7(5)2-6(10)3-8(9)11/h2-4H,1H3.
What are the key properties of 5,7-dichloro-3-methyl-1-benzofuran?
5,7-dichloro-3-methyl-1-benzofuran has a molecular weight of 201.05 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-methyl-1-benzofuran is sourced from PubChem (CID 118564171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).