5,7-dichloro-2-methyl-1-benzofuran

C9H6Cl2O — CID 608298

IUPAC5,7-dichloro-2-methyl-1-benzofuran
SMILESCc1cc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C9H6Cl2O/c1-5-2-6-3-7(10)4-8(11)9(6)12-5/h2-4H,1H3
InChIKeyZZYYOTYWRFLMJX-UHFFFAOYSA-N
MW201.05 g/mol
LogP4.05
Rot. Bonds

About 5,7-dichloro-2-methyl-1-benzofuran

5,7-dichloro-2-methyl-1-benzofuran (PubChem CID 608298) has the molecular formula C9H6Cl2O and a molecular weight of 201.05 g/mol. Its IUPAC name is 5,7-dichloro-2-methyl-1-benzofuran.

Molecular Properties

Compound Name5,7-dichloro-2-methyl-1-benzofuran
PubChem CID608298
Molecular FormulaC9H6Cl2O
Molecular Weight201.05 g/mol
Exact Mass199.98
IUPAC Name5,7-dichloro-2-methyl-1-benzofuran
SMILESCc1cc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C9H6Cl2O/c1-5-2-6-3-7(10)4-8(11)9(6)12-5/h2-4H,1H3
InChIKeyZZYYOTYWRFLMJX-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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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-methyl-1-benzofuran?
The IUPAC name of 5,7-dichloro-2-methyl-1-benzofuran (CID 608298) is 5,7-dichloro-2-methyl-1-benzofuran.
What is the SMILES notation for 5,7-dichloro-2-methyl-1-benzofuran?
The canonical SMILES for 5,7-dichloro-2-methyl-1-benzofuran is Cc1cc2cc(Cl)cc(Cl)c2o1.
What is the InChIKey of 5,7-dichloro-2-methyl-1-benzofuran?
The InChIKey is ZZYYOTYWRFLMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2O/c1-5-2-6-3-7(10)4-8(11)9(6)12-5/h2-4H,1H3.
What are the key properties of 5,7-dichloro-2-methyl-1-benzofuran?
5,7-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 5,7-dichloro-2-methyl-1-benzofuran is sourced from PubChem (CID 608298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).