4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid

C12H8Cl2O3S — CID 57398512

IUPAC4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid
SMILESCOc1cc(-c2cc(Cl)sc2Cl)ccc1C(=O)O
InChIInChI=1S/C12H8Cl2O3S/c1-17-9-4-6(2-3-7(9)12(15)16)8-5-10(13)18-11(8)14/h2-5H,1H3,(H,15,16)
InChIKeyRFFWSDUYUULURU-UHFFFAOYSA-N
MW303.17 g/mol
LogP4.43
Rot. Bonds3

About 4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid

4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid (PubChem CID 57398512) has the molecular formula C12H8Cl2O3S and a molecular weight of 303.17 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid
PubChem CID57398512
Molecular FormulaC12H8Cl2O3S
Molecular Weight303.17 g/mol
Exact Mass301.96
IUPAC Name4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid
SMILESCOc1cc(-c2cc(Cl)sc2Cl)ccc1C(=O)O
InChIInChI=1S/C12H8Cl2O3S/c1-17-9-4-6(2-3-7(9)12(15)16)8-5-10(13)18-11(8)14/h2-5H,1H3,(H,15,16)
InChIKeyRFFWSDUYUULURU-UHFFFAOYSA-N
XLogP4.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid
CID 53225720
4-(4-chloro-3-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53228513
4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid
CID 53228064
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
4-(3,5-difluorophenyl)-2-methoxybenzoic acid
CID 53225906
4-(5-chloro-2-methoxyphenyl)phthalic acid
CID 21072423
4-(4-formylphenyl)-2-methoxybenzoic acid
CID 53225183
4-(3-aminophenyl)-2-methoxybenzoic acid
CID 53224921
2,4-dimethoxybenzoic acid
CID 67450326
2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid
CID 53227218
2,4-dimethoxybenzoic acid
CID 7052

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid (CID 57398512) is 4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid is COc1cc(-c2cc(Cl)sc2Cl)ccc1C(=O)O.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid?
The InChIKey is RFFWSDUYUULURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O3S/c1-17-9-4-6(2-3-7(9)12(15)16)8-5-10(13)18-11(8)14/h2-5H,1H3,(H,15,16).
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid?
4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid has a molecular weight of 303.17 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid is sourced from PubChem (CID 57398512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).