7-chloro-3-methyl-1-benzofuran

C9H7ClO — CID 67275578

IUPAC7-chloro-3-methyl-1-benzofuran
SMILESCc1coc2c(Cl)cccc12
InChIInChI=1S/C9H7ClO/c1-6-5-11-9-7(6)3-2-4-8(9)10/h2-5H,1H3
InChIKeyIZCGXDIMRKJJAX-UHFFFAOYSA-N
MW166.61 g/mol
LogP3.39
Rot. Bonds

About 7-chloro-3-methyl-1-benzofuran

7-chloro-3-methyl-1-benzofuran (PubChem CID 67275578) has the molecular formula C9H7ClO and a molecular weight of 166.61 g/mol. Its IUPAC name is 7-chloro-3-methyl-1-benzofuran.

Molecular Properties

Compound Name7-chloro-3-methyl-1-benzofuran
PubChem CID67275578
Molecular FormulaC9H7ClO
Molecular Weight166.61 g/mol
Exact Mass166.02
IUPAC Name7-chloro-3-methyl-1-benzofuran
SMILESCc1coc2c(Cl)cccc12
InChIInChI=1S/C9H7ClO/c1-6-5-11-9-7(6)3-2-4-8(9)10/h2-5H,1H3
InChIKeyIZCGXDIMRKJJAX-UHFFFAOYSA-N
XLogP3.39
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-1-benzofuran?
The IUPAC name of 7-chloro-3-methyl-1-benzofuran (CID 67275578) is 7-chloro-3-methyl-1-benzofuran.
What is the SMILES notation for 7-chloro-3-methyl-1-benzofuran?
The canonical SMILES for 7-chloro-3-methyl-1-benzofuran is Cc1coc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-3-methyl-1-benzofuran?
The InChIKey is IZCGXDIMRKJJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO/c1-6-5-11-9-7(6)3-2-4-8(9)10/h2-5H,1H3.
What are the key properties of 7-chloro-3-methyl-1-benzofuran?
7-chloro-3-methyl-1-benzofuran has a molecular weight of 166.61 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-1-benzofuran is sourced from PubChem (CID 67275578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).