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

Analyze 3-(3,4-dimethylphenyl)-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

Related Compounds

3-(4-methylphenyl)-1-benzofuran
CID 11160085
ethane;3-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]-1-benzofuran
CID 91354364
4-(1-benzofuran-3-yl)benzaldehyde
CID 21320302
3-(5-prop-1-en-2-ylfuran-3-yl)-1-benzofuran
CID 167219309
3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 70658948
5-(1-benzofuran-3-yl)-1,3-dimethylpyrazole
CID 116856819
3,5-diphenyl-1-benzofuran
CID 66988357
ethane;3-phenylchromen-4-one
CID 90946880
2-(3,4-dimethylphenyl)aniline;hydrochloride
CID 2758548
2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 110485842
2-(2-methylphenyl)dibenzofuran
CID 118188503
magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one
CID 19939019

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).