3-(3,4-dimethylphenyl)-1-benzofuran

C16H14O — CID 21330918

IUPAC3-(3,4-dimethylphenyl)-1-benzofuran
SMILESCc1ccc(-c2coc3ccccc23)cc1C
InChIInChI=1S/C16H14O/c1-11-7-8-13(9-12(11)2)15-10-17-16-6-4-3-5-14(15)16/h3-10H,1-2H3
InChIKeyUPHWOCRTDWFBOQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP4.72
Rot. Bonds1

About 3-(3,4-dimethylphenyl)-1-benzofuran

3-(3,4-dimethylphenyl)-1-benzofuran (PubChem CID 21330918) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-benzofuran.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-benzofuran
PubChem CID21330918
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name3-(3,4-dimethylphenyl)-1-benzofuran
SMILESCc1ccc(-c2coc3ccccc23)cc1C
InChIInChI=1S/C16H14O/c1-11-7-8-13(9-12(11)2)15-10-17-16-6-4-3-5-14(15)16/h3-10H,1-2H3
InChIKeyUPHWOCRTDWFBOQ-UHFFFAOYSA-N
XLogP4.72
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-benzofuran?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-benzofuran (CID 21330918) is 3-(3,4-dimethylphenyl)-1-benzofuran.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-benzofuran?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-benzofuran is Cc1ccc(-c2coc3ccccc23)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-benzofuran?
The InChIKey is UPHWOCRTDWFBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-11-7-8-13(9-12(11)2)15-10-17-16-6-4-3-5-14(15)16/h3-10H,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)-1-benzofuran?
3-(3,4-dimethylphenyl)-1-benzofuran has a molecular weight of 222.29 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1-benzofuran is sourced from PubChem (CID 21330918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).