4,6-dimethyl-1-benzofuran-3-one

C10H10O2 — CID 595599

IUPAC4,6-dimethyl-1-benzofuran-3-one
SMILESCc1cc(C)c2c(c1)OCC2=O
InChIInChI=1S/C10H10O2/c1-6-3-7(2)10-8(11)5-12-9(10)4-6/h3-4H,5H2,1-2H3
InChIKeyPRPSHVVAZDXSJJ-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.88
Rot. Bonds

About 4,6-dimethyl-1-benzofuran-3-one

4,6-dimethyl-1-benzofuran-3-one (PubChem CID 595599) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 4,6-dimethyl-1-benzofuran-3-one.

Molecular Properties

Compound Name4,6-dimethyl-1-benzofuran-3-one
PubChem CID595599
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name4,6-dimethyl-1-benzofuran-3-one
SMILESCc1cc(C)c2c(c1)OCC2=O
InChIInChI=1S/C10H10O2/c1-6-3-7(2)10-8(11)5-12-9(10)4-6/h3-4H,5H2,1-2H3
InChIKeyPRPSHVVAZDXSJJ-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-benzofuran-3-one?
The IUPAC name of 4,6-dimethyl-1-benzofuran-3-one (CID 595599) is 4,6-dimethyl-1-benzofuran-3-one.
What is the SMILES notation for 4,6-dimethyl-1-benzofuran-3-one?
The canonical SMILES for 4,6-dimethyl-1-benzofuran-3-one is Cc1cc(C)c2c(c1)OCC2=O.
What is the InChIKey of 4,6-dimethyl-1-benzofuran-3-one?
The InChIKey is PRPSHVVAZDXSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-6-3-7(2)10-8(11)5-12-9(10)4-6/h3-4H,5H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-benzofuran-3-one?
4,6-dimethyl-1-benzofuran-3-one has a molecular weight of 162.19 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-benzofuran-3-one is sourced from PubChem (CID 595599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).