2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid

C13H12O3S — CID 155667396

IUPAC2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid
SMILESCOC(C(=O)O)c1ccccc1-c1cccs1
InChIInChI=1S/C13H12O3S/c1-16-12(13(14)15)10-6-3-2-5-9(10)11-7-4-8-17-11/h2-8,12H,1H3,(H,14,15)
InChIKeyLVXPSGHBFHKKIW-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.19
Rot. Bonds4

About 2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid

2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid (PubChem CID 155667396) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid
PubChem CID155667396
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid
SMILESCOC(C(=O)O)c1ccccc1-c1cccs1
InChIInChI=1S/C13H12O3S/c1-16-12(13(14)15)10-6-3-2-5-9(10)11-7-4-8-17-11/h2-8,12H,1H3,(H,14,15)
InChIKeyLVXPSGHBFHKKIW-UHFFFAOYSA-N
XLogP3.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (Z)-2-[hydroxy-(2-thiophen-2-ylphenyl)methyl]-3-iodoprop-2-enoate
CID 24827581
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol
CID 175038346
2-(2-thiophen-2-ylanilino)propanoic acid
CID 66173526
(2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol
CID 66514296
2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105
2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid
CID 130877921
(3-thiophen-2-ylthiophen-2-yl) acetate
CID 174391854
methyl 2-hydroxy-6-thiophen-2-ylbenzoate
CID 15679686
2-(4-methoxyphenoxy)-N-(2-thiophen-2-ylphenyl)propanamide
CID 51327828
2-methyl-6-thiophen-2-ylbenzoic acid
CID 53224798
dimethyl 3,4-dithiophen-2-yl-1H-pyrrole-2,5-dicarboxylate
CID 102258239

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid?
The IUPAC name of 2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid (CID 155667396) is 2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid.
What is the SMILES notation for 2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid?
The canonical SMILES for 2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid is COC(C(=O)O)c1ccccc1-c1cccs1.
What is the InChIKey of 2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid?
The InChIKey is LVXPSGHBFHKKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c1-16-12(13(14)15)10-6-3-2-5-9(10)11-7-4-8-17-11/h2-8,12H,1H3,(H,14,15).
What are the key properties of 2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid?
2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid has a molecular weight of 248.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid is sourced from PubChem (CID 155667396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).