4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid

C15H13NO3S — CID 46038784

IUPAC4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESCOc1ccc(Cn2c(C(=O)O)cc3sccc32)cc1
InChIInChI=1S/C15H13NO3S/c1-19-11-4-2-10(3-5-11)9-16-12-6-7-20-14(12)8-13(16)15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyUTIAXPNLDXKVNS-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.46
Rot. Bonds4

About 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid

4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 46038784) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid
PubChem CID46038784
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESCOc1ccc(Cn2c(C(=O)O)cc3sccc32)cc1
InChIInChI=1S/C15H13NO3S/c1-19-11-4-2-10(3-5-11)9-16-12-6-7-20-14(12)8-13(16)15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyUTIAXPNLDXKVNS-UHFFFAOYSA-N
XLogP3.46
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid (CID 46038784) is 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid is COc1ccc(Cn2c(C(=O)O)cc3sccc32)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is UTIAXPNLDXKVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-19-11-4-2-10(3-5-11)9-16-12-6-7-20-14(12)8-13(16)15(17)18/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid?
4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 46038784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).