2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid

C17H10Cl2O5 — CID 3043654

IUPAC2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(=O)c2cc3ccccc3o2)c(Cl)c1Cl
InChIInChI=1S/C17H10Cl2O5/c18-15-10(5-6-12(16(15)19)23-8-14(20)21)17(22)13-7-9-3-1-2-4-11(9)24-13/h1-7H,8H2,(H,20,21)
InChIKeyOSHXRJHIPPCSHW-UHFFFAOYSA-N
MW365.17 g/mol
LogP4.43
Rot. Bonds5

About 2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid

2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid (PubChem CID 3043654) has the molecular formula C17H10Cl2O5 and a molecular weight of 365.17 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid
PubChem CID3043654
Molecular FormulaC17H10Cl2O5
Molecular Weight365.17 g/mol
Exact Mass363.99
IUPAC Name2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(=O)c2cc3ccccc3o2)c(Cl)c1Cl
InChIInChI=1S/C17H10Cl2O5/c18-15-10(5-6-12(16(15)19)23-8-14(20)21)17(22)13-7-9-3-1-2-4-11(9)24-13/h1-7H,8H2,(H,20,21)
InChIKeyOSHXRJHIPPCSHW-UHFFFAOYSA-N
XLogP4.43
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid?
The IUPAC name of 2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid (CID 3043654) is 2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid.
What is the SMILES notation for 2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid?
The canonical SMILES for 2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid is O=C(O)COc1ccc(C(=O)c2cc3ccccc3o2)c(Cl)c1Cl.
What is the InChIKey of 2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid?
The InChIKey is OSHXRJHIPPCSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2O5/c18-15-10(5-6-12(16(15)19)23-8-14(20)21)17(22)13-7-9-3-1-2-4-11(9)24-13/h1-7H,8H2,(H,20,21).
What are the key properties of 2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid?
2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid has a molecular weight of 365.17 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid is sourced from PubChem (CID 3043654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).