2-(4-chlorophenyl)-6-(3-chlorothiophen-2-yl)benzoic acid

C17H10Cl2O2S — CID 91113657

IUPAC2-(4-chlorophenyl)-6-(3-chlorothiophen-2-yl)benzoic acid
SMILESO=C(O)c1c(-c2ccc(Cl)cc2)cccc1-c1sccc1Cl
InChIInChI=1S/C17H10Cl2O2S/c18-11-6-4-10(5-7-11)12-2-1-3-13(15(12)17(20)21)16-14(19)8-9-22-16/h1-9H,(H,20,21)
InChIKeyHPZWYALZYYGQEM-UHFFFAOYSA-N
MW349.24 g/mol
LogP6.09
Rot. Bonds3

About 2-(4-chlorophenyl)-6-(3-chlorothiophen-2-yl)benzoic acid

2-(4-chlorophenyl)-6-(3-chlorothiophen-2-yl)benzoic acid (PubChem CID 91113657) has the molecular formula C17H10Cl2O2S and a molecular weight of 349.24 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-(3-chlorothiophen-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-(3-chlorothiophen-2-yl)benzoic acid
PubChem CID91113657
Molecular FormulaC17H10Cl2O2S
Molecular Weight349.24 g/mol
Exact Mass347.98
IUPAC Name2-(4-chlorophenyl)-6-(3-chlorothiophen-2-yl)benzoic acid
SMILESO=C(O)c1c(-c2ccc(Cl)cc2)cccc1-c1sccc1Cl
InChIInChI=1S/C17H10Cl2O2S/c18-11-6-4-10(5-7-11)12-2-1-3-13(15(12)17(20)21)16-14(19)8-9-22-16/h1-9H,(H,20,21)
InChIKeyHPZWYALZYYGQEM-UHFFFAOYSA-N
XLogP6.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.24
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorothiophen-2-yl)-4-fluorobenzoic acid
CID 107957646
4-(4-chlorophenyl)-2-[[hydroxy(phenyl)methyl]amino]thiophene-3-carboxylic acid
CID 155328025
2-(1-carbamoylnaphthalen-2-yl)-4-(4-chlorophenyl)thiophene-3-carboxylic acid
CID 175133223
4-(4-chlorophenyl)-2-[1-(2-chlorophenyl)ethenylamino]thiophene-3-carboxylic acid
CID 89177651
4-(4-chlorophenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid
CID 23992898
3-(4-chlorophenyl)-2-thiophen-2-ylthiophene
CID 172853479
4-(4-chlorophenyl)-2-[(2-chlorophenyl)methoxycarbonylamino]thiophene-3-carboxylic acid
CID 59536083
1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone
CID 107360532
1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone
CID 107360534
4-(4-chlorophenyl)-2-(4-phenylbutanoylamino)thiophene-3-carboxylic acid
CID 58295534
4-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)thiophene-3-carboxylic acid
CID 913955
2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid
CID 53226778

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-(3-chlorothiophen-2-yl)benzoic acid?
The IUPAC name of 2-(4-chlorophenyl)-6-(3-chlorothiophen-2-yl)benzoic acid (CID 91113657) is 2-(4-chlorophenyl)-6-(3-chlorothiophen-2-yl)benzoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-6-(3-chlorothiophen-2-yl)benzoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-6-(3-chlorothiophen-2-yl)benzoic acid is O=C(O)c1c(-c2ccc(Cl)cc2)cccc1-c1sccc1Cl.
What is the InChIKey of 2-(4-chlorophenyl)-6-(3-chlorothiophen-2-yl)benzoic acid?
The InChIKey is HPZWYALZYYGQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2O2S/c18-11-6-4-10(5-7-11)12-2-1-3-13(15(12)17(20)21)16-14(19)8-9-22-16/h1-9H,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)-6-(3-chlorothiophen-2-yl)benzoic acid?
2-(4-chlorophenyl)-6-(3-chlorothiophen-2-yl)benzoic acid has a molecular weight of 349.24 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-(3-chlorothiophen-2-yl)benzoic acid is sourced from PubChem (CID 91113657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).