2-(3,4-dichlorophenyl)-1-benzofuran-5-carboxylic acid

C15H8Cl2O3 — CID 67551372

IUPAC2-(3,4-dichlorophenyl)-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(-c3ccc(Cl)c(Cl)c3)cc2c1
InChIInChI=1S/C15H8Cl2O3/c16-11-3-1-8(6-12(11)17)14-7-10-5-9(15(18)19)2-4-13(10)20-14/h1-7H,(H,18,19)
InChIKeyJWTGUEGPZNSSIL-UHFFFAOYSA-N
MW307.13 g/mol
LogP5.10
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-1-benzofuran-5-carboxylic acid

2-(3,4-dichlorophenyl)-1-benzofuran-5-carboxylic acid (PubChem CID 67551372) has the molecular formula C15H8Cl2O3 and a molecular weight of 307.13 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-benzofuran-5-carboxylic acid
PubChem CID67551372
Molecular FormulaC15H8Cl2O3
Molecular Weight307.13 g/mol
Exact Mass305.99
IUPAC Name2-(3,4-dichlorophenyl)-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(-c3ccc(Cl)c(Cl)c3)cc2c1
InChIInChI=1S/C15H8Cl2O3/c16-11-3-1-8(6-12(11)17)14-7-10-5-9(15(18)19)2-4-13(10)20-14/h1-7H,(H,18,19)
InChIKeyJWTGUEGPZNSSIL-UHFFFAOYSA-N
XLogP5.10
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.13
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-benzofuran-5-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-benzofuran-5-carboxylic acid (CID 67551372) is 2-(3,4-dichlorophenyl)-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-benzofuran-5-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-benzofuran-5-carboxylic acid is O=C(O)c1ccc2oc(-c3ccc(Cl)c(Cl)c3)cc2c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-benzofuran-5-carboxylic acid?
The InChIKey is JWTGUEGPZNSSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2O3/c16-11-3-1-8(6-12(11)17)14-7-10-5-9(15(18)19)2-4-13(10)20-14/h1-7H,(H,18,19).
What are the key properties of 2-(3,4-dichlorophenyl)-1-benzofuran-5-carboxylic acid?
2-(3,4-dichlorophenyl)-1-benzofuran-5-carboxylic acid has a molecular weight of 307.13 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 67551372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).