6,7-dichloro-2-methyl-1-benzofuran

C9H6Cl2O — CID 102472280

IUPAC6,7-dichloro-2-methyl-1-benzofuran
SMILESCc1cc2ccc(Cl)c(Cl)c2o1
InChIInChI=1S/C9H6Cl2O/c1-5-4-6-2-3-7(10)8(11)9(6)12-5/h2-4H,1H3
InChIKeyNEPQHJRALULSPA-UHFFFAOYSA-N
MW201.05 g/mol
LogP4.05
Rot. Bonds

About 6,7-dichloro-2-methyl-1-benzofuran

6,7-dichloro-2-methyl-1-benzofuran (PubChem CID 102472280) has the molecular formula C9H6Cl2O and a molecular weight of 201.05 g/mol. Its IUPAC name is 6,7-dichloro-2-methyl-1-benzofuran.

Molecular Properties

Compound Name6,7-dichloro-2-methyl-1-benzofuran
PubChem CID102472280
Molecular FormulaC9H6Cl2O
Molecular Weight201.05 g/mol
Exact Mass199.98
IUPAC Name6,7-dichloro-2-methyl-1-benzofuran
SMILESCc1cc2ccc(Cl)c(Cl)c2o1
InChIInChI=1S/C9H6Cl2O/c1-5-4-6-2-3-7(10)8(11)9(6)12-5/h2-4H,1H3
InChIKeyNEPQHJRALULSPA-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

1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine
CID 65440531
6,7-dichloro-1-benzofuran-2-carbaldehyde
CID 65426681
1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65426506
1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine
CID 65439823
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65440191
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine
CID 65440530
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65440192
N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine
CID 65441182
7-chloro-5-ethynyl-2-methyl-1-benzofuran
CID 144817064
1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65440193
2-(2-methyl-1-benzofuran-7-yl)benzene-1,3-diol
CID 143318496
6-amino-2-methyl-1-benzofuran-7-carboxylic acid
CID 163960156

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-methyl-1-benzofuran?
The IUPAC name of 6,7-dichloro-2-methyl-1-benzofuran (CID 102472280) is 6,7-dichloro-2-methyl-1-benzofuran.
What is the SMILES notation for 6,7-dichloro-2-methyl-1-benzofuran?
The canonical SMILES for 6,7-dichloro-2-methyl-1-benzofuran is Cc1cc2ccc(Cl)c(Cl)c2o1.
What is the InChIKey of 6,7-dichloro-2-methyl-1-benzofuran?
The InChIKey is NEPQHJRALULSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2O/c1-5-4-6-2-3-7(10)8(11)9(6)12-5/h2-4H,1H3.
What are the key properties of 6,7-dichloro-2-methyl-1-benzofuran?
6,7-dichloro-2-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 6,7-dichloro-2-methyl-1-benzofuran is sourced from PubChem (CID 102472280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).