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

C9H10O2 — CID 82417491

IUPAC3-methyl-6,7-dihydro-5H-2-benzofuran-4-one
SMILESCc1occ2c1C(=O)CCC2
InChIInChI=1S/C9H10O2/c1-6-9-7(5-11-6)3-2-4-8(9)10/h5H,2-4H2,1H3
InChIKeyPZNXAIUMWMUXGK-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.11
Rot. Bonds

About 3-methyl-6,7-dihydro-5H-2-benzofuran-4-one

3-methyl-6,7-dihydro-5H-2-benzofuran-4-one (PubChem CID 82417491) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-methyl-6,7-dihydro-5H-2-benzofuran-4-one.

Molecular Properties

Compound Name3-methyl-6,7-dihydro-5H-2-benzofuran-4-one
PubChem CID82417491
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3-methyl-6,7-dihydro-5H-2-benzofuran-4-one
SMILESCc1occ2c1C(=O)CCC2
InChIInChI=1S/C9H10O2/c1-6-9-7(5-11-6)3-2-4-8(9)10/h5H,2-4H2,1H3
InChIKeyPZNXAIUMWMUXGK-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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Related Compounds

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2-methyl-3-phenyl-6,7-dihydro-5H-1-benzofuran-4-one
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CID 21467133
4-methyl-6,7-dihydro-5H-cyclopenta[c]pyran-1-one
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2-chloro-3-methylcyclohex-2-en-1-one
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7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one
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25,26-dihydroxy-10,23-dioxatricyclo[19.2.2.18,12]hexacosa-1(24),8,12(26),21(25)-tetraene-11,13,20,22-tetrone
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6,7-dihydro-5H-2-benzofuran-4-one?
The IUPAC name of 3-methyl-6,7-dihydro-5H-2-benzofuran-4-one (CID 82417491) is 3-methyl-6,7-dihydro-5H-2-benzofuran-4-one.
What is the SMILES notation for 3-methyl-6,7-dihydro-5H-2-benzofuran-4-one?
The canonical SMILES for 3-methyl-6,7-dihydro-5H-2-benzofuran-4-one is Cc1occ2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-6,7-dihydro-5H-2-benzofuran-4-one?
The InChIKey is PZNXAIUMWMUXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-6-9-7(5-11-6)3-2-4-8(9)10/h5H,2-4H2,1H3.
What are the key properties of 3-methyl-6,7-dihydro-5H-2-benzofuran-4-one?
3-methyl-6,7-dihydro-5H-2-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 3-methyl-6,7-dihydro-5H-2-benzofuran-4-one is sourced from PubChem (CID 82417491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).