4-(2-methylpropyl)-1,3-dihydro-2-benzofuran

C12H16O — CID 122663965

IUPAC4-(2-methylpropyl)-1,3-dihydro-2-benzofuran
SMILESCC(C)Cc1cccc2c1COC2
InChIInChI=1S/C12H16O/c1-9(2)6-10-4-3-5-11-7-13-8-12(10)11/h3-5,9H,6-8H2,1-2H3
InChIKeyXUSWXRTWUKNDAS-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.92
Rot. Bonds2

About 4-(2-methylpropyl)-1,3-dihydro-2-benzofuran

4-(2-methylpropyl)-1,3-dihydro-2-benzofuran (PubChem CID 122663965) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name4-(2-methylpropyl)-1,3-dihydro-2-benzofuran
PubChem CID122663965
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name4-(2-methylpropyl)-1,3-dihydro-2-benzofuran
SMILESCC(C)Cc1cccc2c1COC2
InChIInChI=1S/C12H16O/c1-9(2)6-10-4-3-5-11-7-13-8-12(10)11/h3-5,9H,6-8H2,1-2H3
InChIKeyXUSWXRTWUKNDAS-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(2-methylpropyl)-1,3-dihydro-2-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 4-(2-methylpropyl)-1,3-dihydro-2-benzofuran?
The IUPAC name of 4-(2-methylpropyl)-1,3-dihydro-2-benzofuran (CID 122663965) is 4-(2-methylpropyl)-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 4-(2-methylpropyl)-1,3-dihydro-2-benzofuran?
The canonical SMILES for 4-(2-methylpropyl)-1,3-dihydro-2-benzofuran is CC(C)Cc1cccc2c1COC2.
What is the InChIKey of 4-(2-methylpropyl)-1,3-dihydro-2-benzofuran?
The InChIKey is XUSWXRTWUKNDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9(2)6-10-4-3-5-11-7-13-8-12(10)11/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-1,3-dihydro-2-benzofuran?
4-(2-methylpropyl)-1,3-dihydro-2-benzofuran has a molecular weight of 176.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 122663965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).