3,3-dimethyl-2H-1-benzofuran

C10H12O — CID 11159394

IUPAC3,3-dimethyl-2H-1-benzofuran
SMILESCC1(C)COc2ccccc21
InChIInChI=1S/C10H12O/c1-10(2)7-11-9-6-4-3-5-8(9)10/h3-6H,7H2,1-2H3
InChIKeyBEIGEFOVGRASOO-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.36
Rot. Bonds

About 3,3-dimethyl-2H-1-benzofuran

3,3-dimethyl-2H-1-benzofuran (PubChem CID 11159394) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 3,3-dimethyl-2H-1-benzofuran.

Molecular Properties

Compound Name3,3-dimethyl-2H-1-benzofuran
PubChem CID11159394
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name3,3-dimethyl-2H-1-benzofuran
SMILESCC1(C)COc2ccccc21
InChIInChI=1S/C10H12O/c1-10(2)7-11-9-6-4-3-5-8(9)10/h3-6H,7H2,1-2H3
InChIKeyBEIGEFOVGRASOO-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyl-2H-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2H-1-benzofuran?
The IUPAC name of 3,3-dimethyl-2H-1-benzofuran (CID 11159394) is 3,3-dimethyl-2H-1-benzofuran.
What is the SMILES notation for 3,3-dimethyl-2H-1-benzofuran?
The canonical SMILES for 3,3-dimethyl-2H-1-benzofuran is CC1(C)COc2ccccc21.
What is the InChIKey of 3,3-dimethyl-2H-1-benzofuran?
The InChIKey is BEIGEFOVGRASOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-10(2)7-11-9-6-4-3-5-8(9)10/h3-6H,7H2,1-2H3.
What are the key properties of 3,3-dimethyl-2H-1-benzofuran?
3,3-dimethyl-2H-1-benzofuran has a molecular weight of 148.20 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2H-1-benzofuran is sourced from PubChem (CID 11159394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).