3,4-bis(4-hydroxyphenyl)thiophene-2,5-dicarboxylic acid

C18H12O6S — CID 101478362

IUPAC3,4-bis(4-hydroxyphenyl)thiophene-2,5-dicarboxylic acid
SMILESO=C(O)c1sc(C(=O)O)c(-c2ccc(O)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C18H12O6S/c19-11-5-1-9(2-6-11)13-14(10-3-7-12(20)8-4-10)16(18(23)24)25-15(13)17(21)22/h1-8,19-20H,(H,21,22)(H,23,24)
InChIKeyQWBYBPZOQFYTPQ-UHFFFAOYSA-N
MW356.36 g/mol
LogP3.89
Rot. Bonds4

About 3,4-bis(4-hydroxyphenyl)thiophene-2,5-dicarboxylic acid

3,4-bis(4-hydroxyphenyl)thiophene-2,5-dicarboxylic acid (PubChem CID 101478362) has the molecular formula C18H12O6S and a molecular weight of 356.36 g/mol. Its IUPAC name is 3,4-bis(4-hydroxyphenyl)thiophene-2,5-dicarboxylic acid.

Molecular Properties

Compound Name3,4-bis(4-hydroxyphenyl)thiophene-2,5-dicarboxylic acid
PubChem CID101478362
Molecular FormulaC18H12O6S
Molecular Weight356.36 g/mol
Exact Mass356.04
IUPAC Name3,4-bis(4-hydroxyphenyl)thiophene-2,5-dicarboxylic acid
SMILESO=C(O)c1sc(C(=O)O)c(-c2ccc(O)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C18H12O6S/c19-11-5-1-9(2-6-11)13-14(10-3-7-12(20)8-4-10)16(18(23)24)25-15(13)17(21)22/h1-8,19-20H,(H,21,22)(H,23,24)
InChIKeyQWBYBPZOQFYTPQ-UHFFFAOYSA-N
XLogP3.89
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-hydroxyphenyl)thiophene-2,5-dicarboxylic acid?
The IUPAC name of 3,4-bis(4-hydroxyphenyl)thiophene-2,5-dicarboxylic acid (CID 101478362) is 3,4-bis(4-hydroxyphenyl)thiophene-2,5-dicarboxylic acid.
What is the SMILES notation for 3,4-bis(4-hydroxyphenyl)thiophene-2,5-dicarboxylic acid?
The canonical SMILES for 3,4-bis(4-hydroxyphenyl)thiophene-2,5-dicarboxylic acid is O=C(O)c1sc(C(=O)O)c(-c2ccc(O)cc2)c1-c1ccc(O)cc1.
What is the InChIKey of 3,4-bis(4-hydroxyphenyl)thiophene-2,5-dicarboxylic acid?
The InChIKey is QWBYBPZOQFYTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O6S/c19-11-5-1-9(2-6-11)13-14(10-3-7-12(20)8-4-10)16(18(23)24)25-15(13)17(21)22/h1-8,19-20H,(H,21,22)(H,23,24).
What are the key properties of 3,4-bis(4-hydroxyphenyl)thiophene-2,5-dicarboxylic acid?
3,4-bis(4-hydroxyphenyl)thiophene-2,5-dicarboxylic acid has a molecular weight of 356.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-hydroxyphenyl)thiophene-2,5-dicarboxylic acid is sourced from PubChem (CID 101478362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).