5-chloro-2-(3,4-dimethoxyphenyl)-1-benzofuran

C16H13ClO3 — CID 134142902

IUPAC5-chloro-2-(3,4-dimethoxyphenyl)-1-benzofuran
SMILESCOc1ccc(-c2cc3cc(Cl)ccc3o2)cc1OC
InChIInChI=1S/C16H13ClO3/c1-18-14-5-3-10(8-16(14)19-2)15-9-11-7-12(17)4-6-13(11)20-15/h3-9H,1-2H3
InChIKeyYTVGJRUJMHAWIR-UHFFFAOYSA-N
MW288.73 g/mol
LogP4.77
Rot. Bonds3

About 5-chloro-2-(3,4-dimethoxyphenyl)-1-benzofuran

5-chloro-2-(3,4-dimethoxyphenyl)-1-benzofuran (PubChem CID 134142902) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is 5-chloro-2-(3,4-dimethoxyphenyl)-1-benzofuran.

Molecular Properties

Compound Name5-chloro-2-(3,4-dimethoxyphenyl)-1-benzofuran
PubChem CID134142902
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name5-chloro-2-(3,4-dimethoxyphenyl)-1-benzofuran
SMILESCOc1ccc(-c2cc3cc(Cl)ccc3o2)cc1OC
InChIInChI=1S/C16H13ClO3/c1-18-14-5-3-10(8-16(14)19-2)15-9-11-7-12(17)4-6-13(11)20-15/h3-9H,1-2H3
InChIKeyYTVGJRUJMHAWIR-UHFFFAOYSA-N
XLogP4.77
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,4-dimethoxyphenyl)-1-benzofuran?
The IUPAC name of 5-chloro-2-(3,4-dimethoxyphenyl)-1-benzofuran (CID 134142902) is 5-chloro-2-(3,4-dimethoxyphenyl)-1-benzofuran.
What is the SMILES notation for 5-chloro-2-(3,4-dimethoxyphenyl)-1-benzofuran?
The canonical SMILES for 5-chloro-2-(3,4-dimethoxyphenyl)-1-benzofuran is COc1ccc(-c2cc3cc(Cl)ccc3o2)cc1OC.
What is the InChIKey of 5-chloro-2-(3,4-dimethoxyphenyl)-1-benzofuran?
The InChIKey is YTVGJRUJMHAWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c1-18-14-5-3-10(8-16(14)19-2)15-9-11-7-12(17)4-6-13(11)20-15/h3-9H,1-2H3.
What are the key properties of 5-chloro-2-(3,4-dimethoxyphenyl)-1-benzofuran?
5-chloro-2-(3,4-dimethoxyphenyl)-1-benzofuran has a molecular weight of 288.73 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,4-dimethoxyphenyl)-1-benzofuran is sourced from PubChem (CID 134142902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).