4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid

C12H8Cl2O3S — CID 60673887

IUPAC4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1OCc1ccc(Cl)s1
InChIInChI=1S/C12H8Cl2O3S/c13-7-1-3-9(12(15)16)10(5-7)17-6-8-2-4-11(14)18-8/h1-5H,6H2,(H,15,16)
InChIKeyAVNIXNNGSDLVDI-UHFFFAOYSA-N
MW303.17 g/mol
LogP4.33
Rot. Bonds4

About 4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid

4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid (PubChem CID 60673887) has the molecular formula C12H8Cl2O3S and a molecular weight of 303.17 g/mol. Its IUPAC name is 4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid
PubChem CID60673887
Molecular FormulaC12H8Cl2O3S
Molecular Weight303.17 g/mol
Exact Mass301.96
IUPAC Name4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1OCc1ccc(Cl)s1
InChIInChI=1S/C12H8Cl2O3S/c13-7-1-3-9(12(15)16)10(5-7)17-6-8-2-4-11(14)18-8/h1-5H,6H2,(H,15,16)
InChIKeyAVNIXNNGSDLVDI-UHFFFAOYSA-N
XLogP4.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]prop-2-enoic acid
CID 43142028
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid
CID 63463866
2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene
CID 43141982
4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid
CID 61223691
4-chloro-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61379733
4-chloro-2-(2,2-difluoroethoxy)benzoic acid
CID 61379224
4-chloro-2-(6-hydroxyhexoxy)benzoic acid
CID 104651474
4-chloro-2-(2-methylidenebutoxy)benzoic acid
CID 66046369
4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771438
4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid
CID 60676432
4-chloro-2-(cyclohexylmethoxy)benzoic acid
CID 61379401
2-(1-benzothiophen-3-ylmethoxy)-4-chlorobenzoic acid
CID 63744829

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid?
The IUPAC name of 4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid (CID 60673887) is 4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid?
The canonical SMILES for 4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid is O=C(O)c1ccc(Cl)cc1OCc1ccc(Cl)s1.
What is the InChIKey of 4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid?
The InChIKey is AVNIXNNGSDLVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O3S/c13-7-1-3-9(12(15)16)10(5-7)17-6-8-2-4-11(14)18-8/h1-5H,6H2,(H,15,16).
What are the key properties of 4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid?
4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid has a molecular weight of 303.17 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 60673887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).