5-chloro-7-(2-methoxyphenyl)-1-benzofuran

C15H11ClO2 — CID 173140084

IUPAC5-chloro-7-(2-methoxyphenyl)-1-benzofuran
SMILESCOc1ccccc1-c1cc(Cl)cc2ccoc12
InChIInChI=1S/C15H11ClO2/c1-17-14-5-3-2-4-12(14)13-9-11(16)8-10-6-7-18-15(10)13/h2-9H,1H3
InChIKeyCCGPQAOXPIKZBI-UHFFFAOYSA-N
MW258.70 g/mol
LogP4.76
Rot. Bonds2

About 5-chloro-7-(2-methoxyphenyl)-1-benzofuran

5-chloro-7-(2-methoxyphenyl)-1-benzofuran (PubChem CID 173140084) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is 5-chloro-7-(2-methoxyphenyl)-1-benzofuran.

Molecular Properties

Compound Name5-chloro-7-(2-methoxyphenyl)-1-benzofuran
PubChem CID173140084
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name5-chloro-7-(2-methoxyphenyl)-1-benzofuran
SMILESCOc1ccccc1-c1cc(Cl)cc2ccoc12
InChIInChI=1S/C15H11ClO2/c1-17-14-5-3-2-4-12(14)13-9-11(16)8-10-6-7-18-15(10)13/h2-9H,1H3
InChIKeyCCGPQAOXPIKZBI-UHFFFAOYSA-N
XLogP4.76
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(2-methoxyphenyl)-1-benzofuran?
The IUPAC name of 5-chloro-7-(2-methoxyphenyl)-1-benzofuran (CID 173140084) is 5-chloro-7-(2-methoxyphenyl)-1-benzofuran.
What is the SMILES notation for 5-chloro-7-(2-methoxyphenyl)-1-benzofuran?
The canonical SMILES for 5-chloro-7-(2-methoxyphenyl)-1-benzofuran is COc1ccccc1-c1cc(Cl)cc2ccoc12.
What is the InChIKey of 5-chloro-7-(2-methoxyphenyl)-1-benzofuran?
The InChIKey is CCGPQAOXPIKZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2/c1-17-14-5-3-2-4-12(14)13-9-11(16)8-10-6-7-18-15(10)13/h2-9H,1H3.
What are the key properties of 5-chloro-7-(2-methoxyphenyl)-1-benzofuran?
5-chloro-7-(2-methoxyphenyl)-1-benzofuran has a molecular weight of 258.70 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(2-methoxyphenyl)-1-benzofuran is sourced from PubChem (CID 173140084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).