3-(4-methoxyphenyl)-2,5-dimethyl-1-benzofuran

C17H16O2 — CID 748824

IUPAC3-(4-methoxyphenyl)-2,5-dimethyl-1-benzofuran
SMILESCOc1ccc(-c2c(C)oc3ccc(C)cc23)cc1
InChIInChI=1S/C17H16O2/c1-11-4-9-16-15(10-11)17(12(2)19-16)13-5-7-14(18-3)8-6-13/h4-10H,1-3H3
InChIKeyFXVQFWIQTJDXLZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.73
Rot. Bonds2

About 3-(4-methoxyphenyl)-2,5-dimethyl-1-benzofuran

3-(4-methoxyphenyl)-2,5-dimethyl-1-benzofuran (PubChem CID 748824) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2,5-dimethyl-1-benzofuran.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2,5-dimethyl-1-benzofuran
PubChem CID748824
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name3-(4-methoxyphenyl)-2,5-dimethyl-1-benzofuran
SMILESCOc1ccc(-c2c(C)oc3ccc(C)cc23)cc1
InChIInChI=1S/C17H16O2/c1-11-4-9-16-15(10-11)17(12(2)19-16)13-5-7-14(18-3)8-6-13/h4-10H,1-3H3
InChIKeyFXVQFWIQTJDXLZ-UHFFFAOYSA-N
XLogP4.73
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2,5-dimethyl-1-benzofuran?
The IUPAC name of 3-(4-methoxyphenyl)-2,5-dimethyl-1-benzofuran (CID 748824) is 3-(4-methoxyphenyl)-2,5-dimethyl-1-benzofuran.
What is the SMILES notation for 3-(4-methoxyphenyl)-2,5-dimethyl-1-benzofuran?
The canonical SMILES for 3-(4-methoxyphenyl)-2,5-dimethyl-1-benzofuran is COc1ccc(-c2c(C)oc3ccc(C)cc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2,5-dimethyl-1-benzofuran?
The InChIKey is FXVQFWIQTJDXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-11-4-9-16-15(10-11)17(12(2)19-16)13-5-7-14(18-3)8-6-13/h4-10H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-2,5-dimethyl-1-benzofuran?
3-(4-methoxyphenyl)-2,5-dimethyl-1-benzofuran has a molecular weight of 252.31 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2,5-dimethyl-1-benzofuran is sourced from PubChem (CID 748824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).