5,7-dichloro-2-(4-methoxyphenyl)-1-benzofuran

C15H10Cl2O2 — CID 10125487

IUPAC5,7-dichloro-2-(4-methoxyphenyl)-1-benzofuran
SMILESCOc1ccc(-c2cc3cc(Cl)cc(Cl)c3o2)cc1
InChIInChI=1S/C15H10Cl2O2/c1-18-12-4-2-9(3-5-12)14-7-10-6-11(16)8-13(17)15(10)19-14/h2-8H,1H3
InChIKeyKALDJDZNJHVKOM-UHFFFAOYSA-N
MW293.15 g/mol
LogP5.42
Rot. Bonds2

About 5,7-dichloro-2-(4-methoxyphenyl)-1-benzofuran

5,7-dichloro-2-(4-methoxyphenyl)-1-benzofuran (PubChem CID 10125487) has the molecular formula C15H10Cl2O2 and a molecular weight of 293.15 g/mol. Its IUPAC name is 5,7-dichloro-2-(4-methoxyphenyl)-1-benzofuran.

Molecular Properties

Compound Name5,7-dichloro-2-(4-methoxyphenyl)-1-benzofuran
PubChem CID10125487
Molecular FormulaC15H10Cl2O2
Molecular Weight293.15 g/mol
Exact Mass292.01
IUPAC Name5,7-dichloro-2-(4-methoxyphenyl)-1-benzofuran
SMILESCOc1ccc(-c2cc3cc(Cl)cc(Cl)c3o2)cc1
InChIInChI=1S/C15H10Cl2O2/c1-18-12-4-2-9(3-5-12)14-7-10-6-11(16)8-13(17)15(10)19-14/h2-8H,1H3
InChIKeyKALDJDZNJHVKOM-UHFFFAOYSA-N
XLogP5.42
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.15
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-(4-methoxyphenyl)-1-benzofuran?
The IUPAC name of 5,7-dichloro-2-(4-methoxyphenyl)-1-benzofuran (CID 10125487) is 5,7-dichloro-2-(4-methoxyphenyl)-1-benzofuran.
What is the SMILES notation for 5,7-dichloro-2-(4-methoxyphenyl)-1-benzofuran?
The canonical SMILES for 5,7-dichloro-2-(4-methoxyphenyl)-1-benzofuran is COc1ccc(-c2cc3cc(Cl)cc(Cl)c3o2)cc1.
What is the InChIKey of 5,7-dichloro-2-(4-methoxyphenyl)-1-benzofuran?
The InChIKey is KALDJDZNJHVKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O2/c1-18-12-4-2-9(3-5-12)14-7-10-6-11(16)8-13(17)15(10)19-14/h2-8H,1H3.
What are the key properties of 5,7-dichloro-2-(4-methoxyphenyl)-1-benzofuran?
5,7-dichloro-2-(4-methoxyphenyl)-1-benzofuran has a molecular weight of 293.15 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-(4-methoxyphenyl)-1-benzofuran is sourced from PubChem (CID 10125487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).