2-(thiophen-3-ylmethoxy)benzoic acid

C12H10O3S — CID 43646082

IUPAC2-(thiophen-3-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCc1ccsc1
InChIInChI=1S/C12H10O3S/c13-12(14)10-3-1-2-4-11(10)15-7-9-5-6-16-8-9/h1-6,8H,7H2,(H,13,14)
InChIKeyULIKHTGTKBRFOO-UHFFFAOYSA-N
MW234.28 g/mol
LogP3.03
Rot. Bonds4

About 2-(thiophen-3-ylmethoxy)benzoic acid

2-(thiophen-3-ylmethoxy)benzoic acid (PubChem CID 43646082) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-(thiophen-3-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name2-(thiophen-3-ylmethoxy)benzoic acid
PubChem CID43646082
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Name2-(thiophen-3-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCc1ccsc1
InChIInChI=1S/C12H10O3S/c13-12(14)10-3-1-2-4-11(10)15-7-9-5-6-16-8-9/h1-6,8H,7H2,(H,13,14)
InChIKeyULIKHTGTKBRFOO-UHFFFAOYSA-N
XLogP3.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
2-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62698186
2-phenyl-3-phenylmethoxybenzoic acid
CID 174811177
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43214779
2-[(2-benzylphenyl)methoxy]benzoic acid
CID 22362973
2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
CID 15529741
2-phenylmethoxybenzoyl chloride
CID 10999355
2-[2-(1-thiophen-3-ylethylamino)ethoxy]benzoic acid
CID 103249717
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]ethanone
CID 62074767
2-(fluoromethoxy)benzoic acid;hydrochloride
CID 141112682

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-3-ylmethoxy)benzoic acid?
The IUPAC name of 2-(thiophen-3-ylmethoxy)benzoic acid (CID 43646082) is 2-(thiophen-3-ylmethoxy)benzoic acid.
What is the SMILES notation for 2-(thiophen-3-ylmethoxy)benzoic acid?
The canonical SMILES for 2-(thiophen-3-ylmethoxy)benzoic acid is O=C(O)c1ccccc1OCc1ccsc1.
What is the InChIKey of 2-(thiophen-3-ylmethoxy)benzoic acid?
The InChIKey is ULIKHTGTKBRFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c13-12(14)10-3-1-2-4-11(10)15-7-9-5-6-16-8-9/h1-6,8H,7H2,(H,13,14).
What are the key properties of 2-(thiophen-3-ylmethoxy)benzoic acid?
2-(thiophen-3-ylmethoxy)benzoic acid has a molecular weight of 234.28 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-3-ylmethoxy)benzoic acid is sourced from PubChem (CID 43646082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).