6-chloro-2-methyl-1-benzofuran-3-one

C9H7ClO2 — CID 19384688

IUPAC6-chloro-2-methyl-1-benzofuran-3-one
SMILESCC1Oc2cc(Cl)ccc2C1=O
InChIInChI=1S/C9H7ClO2/c1-5-9(11)7-3-2-6(10)4-8(7)12-5/h2-5H,1H3
InChIKeyCRUBHOKQBMYCAP-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.30
Rot. Bonds

About 6-chloro-2-methyl-1-benzofuran-3-one

6-chloro-2-methyl-1-benzofuran-3-one (PubChem CID 19384688) has the molecular formula C9H7ClO2 and a molecular weight of 182.61 g/mol. Its IUPAC name is 6-chloro-2-methyl-1-benzofuran-3-one.

Molecular Properties

Compound Name6-chloro-2-methyl-1-benzofuran-3-one
PubChem CID19384688
Molecular FormulaC9H7ClO2
Molecular Weight182.61 g/mol
Exact Mass182.01
IUPAC Name6-chloro-2-methyl-1-benzofuran-3-one
SMILESCC1Oc2cc(Cl)ccc2C1=O
InChIInChI=1S/C9H7ClO2/c1-5-9(11)7-3-2-6(10)4-8(7)12-5/h2-5H,1H3
InChIKeyCRUBHOKQBMYCAP-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-1-benzofuran-3-one?
The IUPAC name of 6-chloro-2-methyl-1-benzofuran-3-one (CID 19384688) is 6-chloro-2-methyl-1-benzofuran-3-one.
What is the SMILES notation for 6-chloro-2-methyl-1-benzofuran-3-one?
The canonical SMILES for 6-chloro-2-methyl-1-benzofuran-3-one is CC1Oc2cc(Cl)ccc2C1=O.
What is the InChIKey of 6-chloro-2-methyl-1-benzofuran-3-one?
The InChIKey is CRUBHOKQBMYCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2/c1-5-9(11)7-3-2-6(10)4-8(7)12-5/h2-5H,1H3.
What are the key properties of 6-chloro-2-methyl-1-benzofuran-3-one?
6-chloro-2-methyl-1-benzofuran-3-one has a molecular weight of 182.61 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-1-benzofuran-3-one is sourced from PubChem (CID 19384688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).