3-methyl-5,6-dihydro-1-benzofuran

C9H10O — CID 66828269

IUPAC3-methyl-5,6-dihydro-1-benzofuran
SMILESCc1coc2c1=CCCC=2
InChIInChI=1S/C9H10O/c1-7-6-10-9-5-3-2-4-8(7)9/h4-6H,2-3H2,1H3
InChIKeyTVFXAAXQPHGOAQ-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.94
Rot. Bonds

About 3-methyl-5,6-dihydro-1-benzofuran

3-methyl-5,6-dihydro-1-benzofuran (PubChem CID 66828269) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-methyl-5,6-dihydro-1-benzofuran.

Molecular Properties

Compound Name3-methyl-5,6-dihydro-1-benzofuran
PubChem CID66828269
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name3-methyl-5,6-dihydro-1-benzofuran
SMILESCc1coc2c1=CCCC=2
InChIInChI=1S/C9H10O/c1-7-6-10-9-5-3-2-4-8(7)9/h4-6H,2-3H2,1H3
InChIKeyTVFXAAXQPHGOAQ-UHFFFAOYSA-N
XLogP0.94
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-dihydro-1-benzofuran?
The IUPAC name of 3-methyl-5,6-dihydro-1-benzofuran (CID 66828269) is 3-methyl-5,6-dihydro-1-benzofuran.
What is the SMILES notation for 3-methyl-5,6-dihydro-1-benzofuran?
The canonical SMILES for 3-methyl-5,6-dihydro-1-benzofuran is Cc1coc2c1=CCCC=2.
What is the InChIKey of 3-methyl-5,6-dihydro-1-benzofuran?
The InChIKey is TVFXAAXQPHGOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-7-6-10-9-5-3-2-4-8(7)9/h4-6H,2-3H2,1H3.
What are the key properties of 3-methyl-5,6-dihydro-1-benzofuran?
3-methyl-5,6-dihydro-1-benzofuran has a molecular weight of 134.18 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-dihydro-1-benzofuran is sourced from PubChem (CID 66828269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).