6-benzyl-4-methyl-1,3-dihydro-2-benzofuran

C16H16O — CID 102213612

IUPAC6-benzyl-4-methyl-1,3-dihydro-2-benzofuran
SMILESCc1cc(Cc2ccccc2)cc2c1COC2
InChIInChI=1S/C16H16O/c1-12-7-14(8-13-5-3-2-4-6-13)9-15-10-17-11-16(12)15/h2-7,9H,8,10-11H2,1H3
InChIKeyXEPJNMQQLJBSMI-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.62
Rot. Bonds2

About 6-benzyl-4-methyl-1,3-dihydro-2-benzofuran

6-benzyl-4-methyl-1,3-dihydro-2-benzofuran (PubChem CID 102213612) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 6-benzyl-4-methyl-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name6-benzyl-4-methyl-1,3-dihydro-2-benzofuran
PubChem CID102213612
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name6-benzyl-4-methyl-1,3-dihydro-2-benzofuran
SMILESCc1cc(Cc2ccccc2)cc2c1COC2
InChIInChI=1S/C16H16O/c1-12-7-14(8-13-5-3-2-4-6-13)9-15-10-17-11-16(12)15/h2-7,9H,8,10-11H2,1H3
InChIKeyXEPJNMQQLJBSMI-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-benzyl-4-methyl-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 6-benzyl-4-methyl-1,3-dihydro-2-benzofuran?
The IUPAC name of 6-benzyl-4-methyl-1,3-dihydro-2-benzofuran (CID 102213612) is 6-benzyl-4-methyl-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 6-benzyl-4-methyl-1,3-dihydro-2-benzofuran?
The canonical SMILES for 6-benzyl-4-methyl-1,3-dihydro-2-benzofuran is Cc1cc(Cc2ccccc2)cc2c1COC2.
What is the InChIKey of 6-benzyl-4-methyl-1,3-dihydro-2-benzofuran?
The InChIKey is XEPJNMQQLJBSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-12-7-14(8-13-5-3-2-4-6-13)9-15-10-17-11-16(12)15/h2-7,9H,8,10-11H2,1H3.
What are the key properties of 6-benzyl-4-methyl-1,3-dihydro-2-benzofuran?
6-benzyl-4-methyl-1,3-dihydro-2-benzofuran has a molecular weight of 224.30 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-methyl-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 102213612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).