1,3-dimethyl-1H-2-benzofuran-4-one

C10H10O2 — CID 174737945

IUPAC1,3-dimethyl-1H-2-benzofuran-4-one
SMILESCC1=C2C(=O)C=CC=C2C(C)O1
InChIInChI=1S/C10H10O2/c1-6-8-4-3-5-9(11)10(8)7(2)12-6/h3-6H,1-2H3
InChIKeyAQVPYCOAIVFIFH-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.74
Rot. Bonds

About 1,3-dimethyl-1H-2-benzofuran-4-one

1,3-dimethyl-1H-2-benzofuran-4-one (PubChem CID 174737945) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1,3-dimethyl-1H-2-benzofuran-4-one.

Molecular Properties

Compound Name1,3-dimethyl-1H-2-benzofuran-4-one
PubChem CID174737945
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name1,3-dimethyl-1H-2-benzofuran-4-one
SMILESCC1=C2C(=O)C=CC=C2C(C)O1
InChIInChI=1S/C10H10O2/c1-6-8-4-3-5-9(11)10(8)7(2)12-6/h3-6H,1-2H3
InChIKeyAQVPYCOAIVFIFH-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1H-2-benzofuran-4-one?
The IUPAC name of 1,3-dimethyl-1H-2-benzofuran-4-one (CID 174737945) is 1,3-dimethyl-1H-2-benzofuran-4-one.
What is the SMILES notation for 1,3-dimethyl-1H-2-benzofuran-4-one?
The canonical SMILES for 1,3-dimethyl-1H-2-benzofuran-4-one is CC1=C2C(=O)C=CC=C2C(C)O1.
What is the InChIKey of 1,3-dimethyl-1H-2-benzofuran-4-one?
The InChIKey is AQVPYCOAIVFIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-6-8-4-3-5-9(11)10(8)7(2)12-6/h3-6H,1-2H3.
What are the key properties of 1,3-dimethyl-1H-2-benzofuran-4-one?
1,3-dimethyl-1H-2-benzofuran-4-one has a molecular weight of 162.19 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1H-2-benzofuran-4-one is sourced from PubChem (CID 174737945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).