3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid

C14H14O5S — CID 81134733

IUPAC3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid
SMILESCOc1cccc(C(O)COc2ccsc2C(=O)O)c1
InChIInChI=1S/C14H14O5S/c1-18-10-4-2-3-9(7-10)11(15)8-19-12-5-6-20-13(12)14(16)17/h2-7,11,15H,8H2,1H3,(H,16,17)
InChIKeyCZBDNNMVWDGDDS-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.57
Rot. Bonds6

About 3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid

3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid (PubChem CID 81134733) has the molecular formula C14H14O5S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid
PubChem CID81134733
Molecular FormulaC14H14O5S
Molecular Weight294.33 g/mol
Exact Mass294.06
IUPAC Name3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid
SMILESCOc1cccc(C(O)COc2ccsc2C(=O)O)c1
InChIInChI=1S/C14H14O5S/c1-18-10-4-2-3-9(7-10)11(15)8-19-12-5-6-20-13(12)14(16)17/h2-7,11,15H,8H2,1H3,(H,16,17)
InChIKeyCZBDNNMVWDGDDS-UHFFFAOYSA-N
XLogP2.57
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134038
1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone
CID 81133388
1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol
CID 110907759
1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823536
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
2-(3,5-difluorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 62783956
[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate
CID 135065936
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 112725152
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-(3-methoxyphenyl)ethanol
CID 103175339
methyl 4-hydroxy-4-(3-methoxyphenyl)butanoate
CID 60732490
2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol
CID 107725514

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid (CID 81134733) is 3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid is COc1cccc(C(O)COc2ccsc2C(=O)O)c1.
What is the InChIKey of 3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid?
The InChIKey is CZBDNNMVWDGDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5S/c1-18-10-4-2-3-9(7-10)11(15)8-19-12-5-6-20-13(12)14(16)17/h2-7,11,15H,8H2,1H3,(H,16,17).
What are the key properties of 3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid?
3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 81134733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).