4-chloro-6-methyl-1-benzofuran

C9H7ClO — CID 130062929

IUPAC4-chloro-6-methyl-1-benzofuran
SMILESCc1cc(Cl)c2ccoc2c1
InChIInChI=1S/C9H7ClO/c1-6-4-8(10)7-2-3-11-9(7)5-6/h2-5H,1H3
InChIKeyPISMNRTZDULJCD-UHFFFAOYSA-N
MW166.61 g/mol
LogP3.39
Rot. Bonds

About 4-chloro-6-methyl-1-benzofuran

4-chloro-6-methyl-1-benzofuran (PubChem CID 130062929) has the molecular formula C9H7ClO and a molecular weight of 166.61 g/mol. Its IUPAC name is 4-chloro-6-methyl-1-benzofuran.

Molecular Properties

Compound Name4-chloro-6-methyl-1-benzofuran
PubChem CID130062929
Molecular FormulaC9H7ClO
Molecular Weight166.61 g/mol
Exact Mass166.02
IUPAC Name4-chloro-6-methyl-1-benzofuran
SMILESCc1cc(Cl)c2ccoc2c1
InChIInChI=1S/C9H7ClO/c1-6-4-8(10)7-2-3-11-9(7)5-6/h2-5H,1H3
InChIKeyPISMNRTZDULJCD-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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Related Compounds

4-chloro-6-fluoro-1-benzofuran
CID 130062962
4-methylfuro[3,2-e][1]benzofuran
CID 170151915
6-fluoro-4-methyl-1-benzofuran
CID 66806743
4,6-dimethylfuro[3,2-c]pyridine
CID 141374746
7-bromo-4-chlorobenzo[f][1]benzofuran
CID 176753869
6-methylchromen-4-one
CID 594810
4-methyl-1-benzofuran;6-methyl-1-benzofuran
CID 167605896
4,6-dichlorofuro[2,3-b]pyridine
CID 122129719
4-chlorofuro[3,2-c]pyridine;ethane
CID 144953720
6-bromo-1-benzofuran-4-amine
CID 155289967
7-bromo-4,6-dichloro-1-benzofuran
CID 22144862
2-methyl-3-(6-methyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 142131081

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-1-benzofuran?
The IUPAC name of 4-chloro-6-methyl-1-benzofuran (CID 130062929) is 4-chloro-6-methyl-1-benzofuran.
What is the SMILES notation for 4-chloro-6-methyl-1-benzofuran?
The canonical SMILES for 4-chloro-6-methyl-1-benzofuran is Cc1cc(Cl)c2ccoc2c1.
What is the InChIKey of 4-chloro-6-methyl-1-benzofuran?
The InChIKey is PISMNRTZDULJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO/c1-6-4-8(10)7-2-3-11-9(7)5-6/h2-5H,1H3.
What are the key properties of 4-chloro-6-methyl-1-benzofuran?
4-chloro-6-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 4-chloro-6-methyl-1-benzofuran is sourced from PubChem (CID 130062929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).