3-(4-methylphenyl)-1-benzofuran

C15H12O — CID 11160085

IUPAC3-(4-methylphenyl)-1-benzofuran
SMILESCc1ccc(-c2coc3ccccc23)cc1
InChIInChI=1S/C15H12O/c1-11-6-8-12(9-7-11)14-10-16-15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyDGCMTGYPDXCTOF-UHFFFAOYSA-N
MW208.26 g/mol
LogP4.41
Rot. Bonds1

About 3-(4-methylphenyl)-1-benzofuran

3-(4-methylphenyl)-1-benzofuran (PubChem CID 11160085) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-benzofuran.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-benzofuran
PubChem CID11160085
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name3-(4-methylphenyl)-1-benzofuran
SMILESCc1ccc(-c2coc3ccccc23)cc1
InChIInChI=1S/C15H12O/c1-11-6-8-12(9-7-11)14-10-16-15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyDGCMTGYPDXCTOF-UHFFFAOYSA-N
XLogP4.41
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-benzofuran?
The IUPAC name of 3-(4-methylphenyl)-1-benzofuran (CID 11160085) is 3-(4-methylphenyl)-1-benzofuran.
What is the SMILES notation for 3-(4-methylphenyl)-1-benzofuran?
The canonical SMILES for 3-(4-methylphenyl)-1-benzofuran is Cc1ccc(-c2coc3ccccc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-benzofuran?
The InChIKey is DGCMTGYPDXCTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c1-11-6-8-12(9-7-11)14-10-16-15-5-3-2-4-13(14)15/h2-10H,1H3.
What are the key properties of 3-(4-methylphenyl)-1-benzofuran?
3-(4-methylphenyl)-1-benzofuran has a molecular weight of 208.26 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-benzofuran is sourced from PubChem (CID 11160085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).