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

C9H10O2 — CID 6421664

IUPAC2-methyl-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1cc2c(o1)CCCC2=O
InChIInChI=1S/C9H10O2/c1-6-5-7-8(10)3-2-4-9(7)11-6/h5H,2-4H2,1H3
InChIKeyDFYYBHIUTDAALI-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.11
Rot. Bonds

About 2-methyl-6,7-dihydro-5H-1-benzofuran-4-one

2-methyl-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 6421664) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-methyl-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name2-methyl-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID6421664
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-methyl-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1cc2c(o1)CCCC2=O
InChIInChI=1S/C9H10O2/c1-6-5-7-8(10)3-2-4-9(7)11-6/h5H,2-4H2,1H3
InChIKeyDFYYBHIUTDAALI-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 2-methyl-6,7-dihydro-5H-1-benzofuran-4-one (CID 6421664) is 2-methyl-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 2-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 2-methyl-6,7-dihydro-5H-1-benzofuran-4-one is Cc1cc2c(o1)CCCC2=O.
What is the InChIKey of 2-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is DFYYBHIUTDAALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-6-5-7-8(10)3-2-4-9(7)11-6/h5H,2-4H2,1H3.
What are the key properties of 2-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
2-methyl-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 150.18 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 6421664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).