5-[hydroxy-(2-phenylphenyl)methyl]thiophene-2-carboxylic acid

C18H14O3S — CID 174588477

IUPAC5-[hydroxy-(2-phenylphenyl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)c2ccccc2-c2ccccc2)s1
InChIInChI=1S/C18H14O3S/c19-17(15-10-11-16(22-15)18(20)21)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11,17,19H,(H,20,21)
InChIKeyBBYHNFRNUFFFOK-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.20
Rot. Bonds4

About 5-[hydroxy-(2-phenylphenyl)methyl]thiophene-2-carboxylic acid

5-[hydroxy-(2-phenylphenyl)methyl]thiophene-2-carboxylic acid (PubChem CID 174588477) has the molecular formula C18H14O3S and a molecular weight of 310.37 g/mol. Its IUPAC name is 5-[hydroxy-(2-phenylphenyl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[hydroxy-(2-phenylphenyl)methyl]thiophene-2-carboxylic acid
PubChem CID174588477
Molecular FormulaC18H14O3S
Molecular Weight310.37 g/mol
Exact Mass310.07
IUPAC Name5-[hydroxy-(2-phenylphenyl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)c2ccccc2-c2ccccc2)s1
InChIInChI=1S/C18H14O3S/c19-17(15-10-11-16(22-15)18(20)21)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11,17,19H,(H,20,21)
InChIKeyBBYHNFRNUFFFOK-UHFFFAOYSA-N
XLogP4.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzhydrylthiophene-2-carboxylic acid
CID 59775040
5-(3-chloro-1,2-dihydroxypropyl)thiophene-2-carboxylic acid
CID 171861620
5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid
CID 92763509
5-[(1R)-1-aminoethyl]thiophene-2-carboxylic acid
CID 58418334
5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid
CID 130634208
5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
furan-2-yl-(2-phenylphenyl)methanol
CID 172878097
4-[2-(1-hydroxyethyl)phenyl]benzoic acid
CID 152687080
isocyanic acid;1-phenyl-2-propan-2-ylbenzene
CID 174621079
bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
CID 70214547
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106
3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid
CID 163208297

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy-(2-phenylphenyl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[hydroxy-(2-phenylphenyl)methyl]thiophene-2-carboxylic acid (CID 174588477) is 5-[hydroxy-(2-phenylphenyl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[hydroxy-(2-phenylphenyl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[hydroxy-(2-phenylphenyl)methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(C(O)c2ccccc2-c2ccccc2)s1.
What is the InChIKey of 5-[hydroxy-(2-phenylphenyl)methyl]thiophene-2-carboxylic acid?
The InChIKey is BBYHNFRNUFFFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3S/c19-17(15-10-11-16(22-15)18(20)21)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11,17,19H,(H,20,21).
What are the key properties of 5-[hydroxy-(2-phenylphenyl)methyl]thiophene-2-carboxylic acid?
5-[hydroxy-(2-phenylphenyl)methyl]thiophene-2-carboxylic acid has a molecular weight of 310.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy-(2-phenylphenyl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 174588477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).