3-methyl-2,3-dihydro-1-benzofuran

C9H10O — CID 576907

IUPAC3-methyl-2,3-dihydro-1-benzofuran
SMILESCC1COc2ccccc21
InChIInChI=1S/C9H10O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3
InChIKeyYZDGROPVYQGZTK-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.18
Rot. Bonds

About 3-methyl-2,3-dihydro-1-benzofuran

3-methyl-2,3-dihydro-1-benzofuran (PubChem CID 576907) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name3-methyl-2,3-dihydro-1-benzofuran
PubChem CID576907
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name3-methyl-2,3-dihydro-1-benzofuran
SMILESCC1COc2ccccc21
InChIInChI=1S/C9H10O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3
InChIKeyYZDGROPVYQGZTK-UHFFFAOYSA-N
XLogP2.18
TPSA9.23 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 ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 3-methyl-2,3-dihydro-1-benzofuran (CID 576907) is 3-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 3-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 3-methyl-2,3-dihydro-1-benzofuran is CC1COc2ccccc21.
What is the InChIKey of 3-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is YZDGROPVYQGZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3.
What are the key properties of 3-methyl-2,3-dihydro-1-benzofuran?
3-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 134.18 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 576907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).