3-methyl-5,7-dihydro-4H-1-benzofuran-6-one

C9H10O2 — CID 71326738

IUPAC3-methyl-5,7-dihydro-4H-1-benzofuran-6-one
SMILESCc1coc2c1CCC(=O)C2
InChIInChI=1S/C9H10O2/c1-6-5-11-9-4-7(10)2-3-8(6)9/h5H,2-4H2,1H3
InChIKeyWUSKTBRXXKPOJJ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.65
Rot. Bonds

About 3-methyl-5,7-dihydro-4H-1-benzofuran-6-one

3-methyl-5,7-dihydro-4H-1-benzofuran-6-one (PubChem CID 71326738) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-methyl-5,7-dihydro-4H-1-benzofuran-6-one.

Molecular Properties

Compound Name3-methyl-5,7-dihydro-4H-1-benzofuran-6-one
PubChem CID71326738
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3-methyl-5,7-dihydro-4H-1-benzofuran-6-one
SMILESCc1coc2c1CCC(=O)C2
InChIInChI=1S/C9H10O2/c1-6-5-11-9-4-7(10)2-3-8(6)9/h5H,2-4H2,1H3
InChIKeyWUSKTBRXXKPOJJ-UHFFFAOYSA-N
XLogP1.65
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,7-dihydro-4H-1-benzofuran-6-one?
The IUPAC name of 3-methyl-5,7-dihydro-4H-1-benzofuran-6-one (CID 71326738) is 3-methyl-5,7-dihydro-4H-1-benzofuran-6-one.
What is the SMILES notation for 3-methyl-5,7-dihydro-4H-1-benzofuran-6-one?
The canonical SMILES for 3-methyl-5,7-dihydro-4H-1-benzofuran-6-one is Cc1coc2c1CCC(=O)C2.
What is the InChIKey of 3-methyl-5,7-dihydro-4H-1-benzofuran-6-one?
The InChIKey is WUSKTBRXXKPOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-6-5-11-9-4-7(10)2-3-8(6)9/h5H,2-4H2,1H3.
What are the key properties of 3-methyl-5,7-dihydro-4H-1-benzofuran-6-one?
3-methyl-5,7-dihydro-4H-1-benzofuran-6-one has a molecular weight of 150.18 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,7-dihydro-4H-1-benzofuran-6-one is sourced from PubChem (CID 71326738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).