6-(4-hydroxyphenyl)-1-benzothiophene-3-carboxylic acid

C15H10O3S — CID 90996091

IUPAC6-(4-hydroxyphenyl)-1-benzothiophene-3-carboxylic acid
SMILESO=C(O)c1csc2cc(-c3ccc(O)cc3)ccc12
InChIInChI=1S/C15H10O3S/c16-11-4-1-9(2-5-11)10-3-6-12-13(15(17)18)8-19-14(12)7-10/h1-8,16H,(H,17,18)
InChIKeyMJVLAZCZOLZXPN-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.97
Rot. Bonds2

About 6-(4-hydroxyphenyl)-1-benzothiophene-3-carboxylic acid

6-(4-hydroxyphenyl)-1-benzothiophene-3-carboxylic acid (PubChem CID 90996091) has the molecular formula C15H10O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-1-benzothiophene-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-1-benzothiophene-3-carboxylic acid
PubChem CID90996091
Molecular FormulaC15H10O3S
Molecular Weight270.31 g/mol
Exact Mass270.04
IUPAC Name6-(4-hydroxyphenyl)-1-benzothiophene-3-carboxylic acid
SMILESO=C(O)c1csc2cc(-c3ccc(O)cc3)ccc12
InChIInChI=1S/C15H10O3S/c16-11-4-1-9(2-5-11)10-3-6-12-13(15(17)18)8-19-14(12)7-10/h1-8,16H,(H,17,18)
InChIKeyMJVLAZCZOLZXPN-UHFFFAOYSA-N
XLogP3.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-1-benzothiophene-3-carboxylic acid?
The IUPAC name of 6-(4-hydroxyphenyl)-1-benzothiophene-3-carboxylic acid (CID 90996091) is 6-(4-hydroxyphenyl)-1-benzothiophene-3-carboxylic acid.
What is the SMILES notation for 6-(4-hydroxyphenyl)-1-benzothiophene-3-carboxylic acid?
The canonical SMILES for 6-(4-hydroxyphenyl)-1-benzothiophene-3-carboxylic acid is O=C(O)c1csc2cc(-c3ccc(O)cc3)ccc12.
What is the InChIKey of 6-(4-hydroxyphenyl)-1-benzothiophene-3-carboxylic acid?
The InChIKey is MJVLAZCZOLZXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3S/c16-11-4-1-9(2-5-11)10-3-6-12-13(15(17)18)8-19-14(12)7-10/h1-8,16H,(H,17,18).
What are the key properties of 6-(4-hydroxyphenyl)-1-benzothiophene-3-carboxylic acid?
6-(4-hydroxyphenyl)-1-benzothiophene-3-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-1-benzothiophene-3-carboxylic acid is sourced from PubChem (CID 90996091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).