5-(3-methylphenyl)-2,3-dihydro-1-benzofuran

C15H14O — CID 4131971

IUPAC5-(3-methylphenyl)-2,3-dihydro-1-benzofuran
SMILESCc1cccc(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C15H14O/c1-11-3-2-4-12(9-11)13-5-6-15-14(10-13)7-8-16-15/h2-6,9-10H,7-8H2,1H3
InChIKeyOYQRKMGTVXENBD-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.60
Rot. Bonds1

About 5-(3-methylphenyl)-2,3-dihydro-1-benzofuran

5-(3-methylphenyl)-2,3-dihydro-1-benzofuran (PubChem CID 4131971) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(3-methylphenyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-(3-methylphenyl)-2,3-dihydro-1-benzofuran
PubChem CID4131971
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name5-(3-methylphenyl)-2,3-dihydro-1-benzofuran
SMILESCc1cccc(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C15H14O/c1-11-3-2-4-12(9-11)13-5-6-15-14(10-13)7-8-16-15/h2-6,9-10H,7-8H2,1H3
InChIKeyOYQRKMGTVXENBD-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(3-methylphenyl)-2,3-dihydro-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 5-(3-methylphenyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-(3-methylphenyl)-2,3-dihydro-1-benzofuran (CID 4131971) is 5-(3-methylphenyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-(3-methylphenyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-(3-methylphenyl)-2,3-dihydro-1-benzofuran is Cc1cccc(-c2ccc3c(c2)CCO3)c1.
What is the InChIKey of 5-(3-methylphenyl)-2,3-dihydro-1-benzofuran?
The InChIKey is OYQRKMGTVXENBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-11-3-2-4-12(9-11)13-5-6-15-14(10-13)7-8-16-15/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 5-(3-methylphenyl)-2,3-dihydro-1-benzofuran?
5-(3-methylphenyl)-2,3-dihydro-1-benzofuran has a molecular weight of 210.28 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 4131971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).