3-hydroxy-2-(4-phenylphenyl)-3-thiophen-2-ylpropanoic acid

C19H16O3S — CID 50878491

IUPAC3-hydroxy-2-(4-phenylphenyl)-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)C(c1ccc(-c2ccccc2)cc1)C(O)c1cccs1
InChIInChI=1S/C19H16O3S/c20-18(16-7-4-12-23-16)17(19(21)22)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-12,17-18,20H,(H,21,22)
InChIKeyORBXVRPDYIFBMH-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.32
Rot. Bonds5

About 3-hydroxy-2-(4-phenylphenyl)-3-thiophen-2-ylpropanoic acid

3-hydroxy-2-(4-phenylphenyl)-3-thiophen-2-ylpropanoic acid (PubChem CID 50878491) has the molecular formula C19H16O3S and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-hydroxy-2-(4-phenylphenyl)-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(4-phenylphenyl)-3-thiophen-2-ylpropanoic acid
PubChem CID50878491
Molecular FormulaC19H16O3S
Molecular Weight324.40 g/mol
Exact Mass324.08
IUPAC Name3-hydroxy-2-(4-phenylphenyl)-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)C(c1ccc(-c2ccccc2)cc1)C(O)c1cccs1
InChIInChI=1S/C19H16O3S/c20-18(16-7-4-12-23-16)17(19(21)22)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-12,17-18,20H,(H,21,22)
InChIKeyORBXVRPDYIFBMH-UHFFFAOYSA-N
XLogP4.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid
CID 6994519
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(2S)-2-amino-3-thiophen-2-ylbutanedioic acid
CID 146264588
2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid
CID 66207160
(3R)-4,4,4-trifluoro-3-methyl-2-(4-phenylphenyl)butanoic acid
CID 151930463
(2R,3S)-2-azaniumyl-3-hydroxy-3-thiophen-2-ylpropanoate
CID 6994522
1-(4-phenylphenyl)-2-thiophen-2-ylethanol
CID 65148567
(2R)-2-phenyl-2-(4-phenylphenyl)acetic acid
CID 38989084
(4-phenylthiophen-2-yl)-thiophen-2-ylmethanol
CID 16641209
2-[hydroxy-(4-phenylphenyl)methyl]-3-methylbutanoic acid
CID 62396839
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
1,1'-biphenyl;2,3-dihydroxybutanedioic acid
CID 70563433

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-phenylphenyl)-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-hydroxy-2-(4-phenylphenyl)-3-thiophen-2-ylpropanoic acid (CID 50878491) is 3-hydroxy-2-(4-phenylphenyl)-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-hydroxy-2-(4-phenylphenyl)-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-hydroxy-2-(4-phenylphenyl)-3-thiophen-2-ylpropanoic acid is O=C(O)C(c1ccc(-c2ccccc2)cc1)C(O)c1cccs1.
What is the InChIKey of 3-hydroxy-2-(4-phenylphenyl)-3-thiophen-2-ylpropanoic acid?
The InChIKey is ORBXVRPDYIFBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3S/c20-18(16-7-4-12-23-16)17(19(21)22)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-12,17-18,20H,(H,21,22).
What are the key properties of 3-hydroxy-2-(4-phenylphenyl)-3-thiophen-2-ylpropanoic acid?
3-hydroxy-2-(4-phenylphenyl)-3-thiophen-2-ylpropanoic acid has a molecular weight of 324.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-phenylphenyl)-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 50878491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).