5,7-dimethyl-3H-1-benzofuran-2-one

C10H10O2 — CID 11819351

IUPAC5,7-dimethyl-3H-1-benzofuran-2-one
SMILESCc1cc(C)c2c(c1)CC(=O)O2
InChIInChI=1S/C10H10O2/c1-6-3-7(2)10-8(4-6)5-9(11)12-10/h3-4H,5H2,1-2H3
InChIKeyZEUKRNQKSDSVFC-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.76
Rot. Bonds

About 5,7-dimethyl-3H-1-benzofuran-2-one

5,7-dimethyl-3H-1-benzofuran-2-one (PubChem CID 11819351) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 5,7-dimethyl-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name5,7-dimethyl-3H-1-benzofuran-2-one
PubChem CID11819351
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name5,7-dimethyl-3H-1-benzofuran-2-one
SMILESCc1cc(C)c2c(c1)CC(=O)O2
InChIInChI=1S/C10H10O2/c1-6-3-7(2)10-8(4-6)5-9(11)12-10/h3-4H,5H2,1-2H3
InChIKeyZEUKRNQKSDSVFC-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3H-1-benzofuran-2-one?
The IUPAC name of 5,7-dimethyl-3H-1-benzofuran-2-one (CID 11819351) is 5,7-dimethyl-3H-1-benzofuran-2-one.
What is the SMILES notation for 5,7-dimethyl-3H-1-benzofuran-2-one?
The canonical SMILES for 5,7-dimethyl-3H-1-benzofuran-2-one is Cc1cc(C)c2c(c1)CC(=O)O2.
What is the InChIKey of 5,7-dimethyl-3H-1-benzofuran-2-one?
The InChIKey is ZEUKRNQKSDSVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-6-3-7(2)10-8(4-6)5-9(11)12-10/h3-4H,5H2,1-2H3.
What are the key properties of 5,7-dimethyl-3H-1-benzofuran-2-one?
5,7-dimethyl-3H-1-benzofuran-2-one has a molecular weight of 162.19 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3H-1-benzofuran-2-one is sourced from PubChem (CID 11819351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).