4,5-bis(4-methoxyphenyl)thiophene-2-carboxylic acid

C19H16O4S — CID 11393645

IUPAC4,5-bis(4-methoxyphenyl)thiophene-2-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H16O4S/c1-22-14-7-3-12(4-8-14)16-11-17(19(20)21)24-18(16)13-5-9-15(23-2)10-6-13/h3-11H,1-2H3,(H,20,21)
InChIKeyDEVWYGRBEJAFSK-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.80
Rot. Bonds5

About 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylic acid

4,5-bis(4-methoxyphenyl)thiophene-2-carboxylic acid (PubChem CID 11393645) has the molecular formula C19H16O4S and a molecular weight of 340.40 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)thiophene-2-carboxylic acid
PubChem CID11393645
Molecular FormulaC19H16O4S
Molecular Weight340.40 g/mol
Exact Mass340.08
IUPAC Name4,5-bis(4-methoxyphenyl)thiophene-2-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H16O4S/c1-22-14-7-3-12(4-8-14)16-11-17(19(20)21)24-18(16)13-5-9-15(23-2)10-6-13/h3-11H,1-2H3,(H,20,21)
InChIKeyDEVWYGRBEJAFSK-UHFFFAOYSA-N
XLogP4.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylic acid (CID 11393645) is 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylic acid is COc1ccc(-c2cc(C(=O)O)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylic acid?
The InChIKey is DEVWYGRBEJAFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4S/c1-22-14-7-3-12(4-8-14)16-11-17(19(20)21)24-18(16)13-5-9-15(23-2)10-6-13/h3-11H,1-2H3,(H,20,21).
What are the key properties of 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylic acid?
4,5-bis(4-methoxyphenyl)thiophene-2-carboxylic acid has a molecular weight of 340.40 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 11393645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).