4-(4-cyano-5-phenylthiophen-2-yl)-2-hydroxybenzoic acid

C18H11NO3S — CID 45376371

IUPAC4-(4-cyano-5-phenylthiophen-2-yl)-2-hydroxybenzoic acid
SMILESN#Cc1cc(-c2ccc(C(=O)O)c(O)c2)sc1-c1ccccc1
InChIInChI=1S/C18H11NO3S/c19-10-13-9-16(23-17(13)11-4-2-1-3-5-11)12-6-7-14(18(21)22)15(20)8-12/h1-9,20H,(H,21,22)
InChIKeyLOTLKKDBMIWDHE-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.36
Rot. Bonds3

About 4-(4-cyano-5-phenylthiophen-2-yl)-2-hydroxybenzoic acid

4-(4-cyano-5-phenylthiophen-2-yl)-2-hydroxybenzoic acid (PubChem CID 45376371) has the molecular formula C18H11NO3S and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-(4-cyano-5-phenylthiophen-2-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(4-cyano-5-phenylthiophen-2-yl)-2-hydroxybenzoic acid
PubChem CID45376371
Molecular FormulaC18H11NO3S
Molecular Weight321.36 g/mol
Exact Mass321.05
IUPAC Name4-(4-cyano-5-phenylthiophen-2-yl)-2-hydroxybenzoic acid
SMILESN#Cc1cc(-c2ccc(C(=O)O)c(O)c2)sc1-c1ccccc1
InChIInChI=1S/C18H11NO3S/c19-10-13-9-16(23-17(13)11-4-2-1-3-5-11)12-6-7-14(18(21)22)15(20)8-12/h1-9,20H,(H,21,22)
InChIKeyLOTLKKDBMIWDHE-UHFFFAOYSA-N
XLogP4.36
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyano-5-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid
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2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid
CID 45376372
4-(1-cyanoindolizin-3-yl)-2-hydroxybenzoic acid
CID 46931655
4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid
CID 58437277
4-(7-tert-butyl-1-cyanoindolizin-3-yl)-2-hydroxybenzoic acid
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CID 23148964
2-hydroxy-4-naphthalen-2-ylbenzoic acid
CID 53226801
5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid
CID 53220200
4-(3-aminophenyl)-2-hydroxybenzoic acid
CID 53224908
2-(2-hydroxy-4-phenylbenzoyl)benzoic acid
CID 18006881
4-cyano-3-phenylphthalic acid
CID 151383359
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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-5-phenylthiophen-2-yl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(4-cyano-5-phenylthiophen-2-yl)-2-hydroxybenzoic acid (CID 45376371) is 4-(4-cyano-5-phenylthiophen-2-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(4-cyano-5-phenylthiophen-2-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(4-cyano-5-phenylthiophen-2-yl)-2-hydroxybenzoic acid is N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)sc1-c1ccccc1.
What is the InChIKey of 4-(4-cyano-5-phenylthiophen-2-yl)-2-hydroxybenzoic acid?
The InChIKey is LOTLKKDBMIWDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO3S/c19-10-13-9-16(23-17(13)11-4-2-1-3-5-11)12-6-7-14(18(21)22)15(20)8-12/h1-9,20H,(H,21,22).
What are the key properties of 4-(4-cyano-5-phenylthiophen-2-yl)-2-hydroxybenzoic acid?
4-(4-cyano-5-phenylthiophen-2-yl)-2-hydroxybenzoic acid has a molecular weight of 321.36 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-5-phenylthiophen-2-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 45376371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).