3-chloro-4-(7-chloro-1-benzofuran-2-yl)benzoic acid

C15H8Cl2O3 — CID 114731762

IUPAC3-chloro-4-(7-chloro-1-benzofuran-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc3cccc(Cl)c3o2)c(Cl)c1
InChIInChI=1S/C15H8Cl2O3/c16-11-3-1-2-8-7-13(20-14(8)11)10-5-4-9(15(18)19)6-12(10)17/h1-7H,(H,18,19)
InChIKeyFMOPGBJABHGIFF-UHFFFAOYSA-N
MW307.13 g/mol
LogP5.10
Rot. Bonds2

About 3-chloro-4-(7-chloro-1-benzofuran-2-yl)benzoic acid

3-chloro-4-(7-chloro-1-benzofuran-2-yl)benzoic acid (PubChem CID 114731762) has the molecular formula C15H8Cl2O3 and a molecular weight of 307.13 g/mol. Its IUPAC name is 3-chloro-4-(7-chloro-1-benzofuran-2-yl)benzoic acid.

Molecular Properties

Compound Name3-chloro-4-(7-chloro-1-benzofuran-2-yl)benzoic acid
PubChem CID114731762
Molecular FormulaC15H8Cl2O3
Molecular Weight307.13 g/mol
Exact Mass305.99
IUPAC Name3-chloro-4-(7-chloro-1-benzofuran-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc3cccc(Cl)c3o2)c(Cl)c1
InChIInChI=1S/C15H8Cl2O3/c16-11-3-1-2-8-7-13(20-14(8)11)10-5-4-9(15(18)19)6-12(10)17/h1-7H,(H,18,19)
InChIKeyFMOPGBJABHGIFF-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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Related Compounds

4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid
CID 114731769
2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113759
3-methyl-4-(7-methyl-1-benzofuran-2-yl)benzoic acid
CID 114731658
5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid
CID 114731756
1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone
CID 114732126
4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
CID 67933510
5-(7-chloro-1-benzofuran-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115109824
4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline
CID 114732001
4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde
CID 114732125
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810821
4-(8-chloro-4-oxochromen-2-yl)benzoic acid
CID 82043700

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(7-chloro-1-benzofuran-2-yl)benzoic acid?
The IUPAC name of 3-chloro-4-(7-chloro-1-benzofuran-2-yl)benzoic acid (CID 114731762) is 3-chloro-4-(7-chloro-1-benzofuran-2-yl)benzoic acid.
What is the SMILES notation for 3-chloro-4-(7-chloro-1-benzofuran-2-yl)benzoic acid?
The canonical SMILES for 3-chloro-4-(7-chloro-1-benzofuran-2-yl)benzoic acid is O=C(O)c1ccc(-c2cc3cccc(Cl)c3o2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(7-chloro-1-benzofuran-2-yl)benzoic acid?
The InChIKey is FMOPGBJABHGIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2O3/c16-11-3-1-2-8-7-13(20-14(8)11)10-5-4-9(15(18)19)6-12(10)17/h1-7H,(H,18,19).
What are the key properties of 3-chloro-4-(7-chloro-1-benzofuran-2-yl)benzoic acid?
3-chloro-4-(7-chloro-1-benzofuran-2-yl)benzoic 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 3-chloro-4-(7-chloro-1-benzofuran-2-yl)benzoic acid is sourced from PubChem (CID 114731762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).