(2S,3R)-3-hydroxy-3-phenyl-2-(4-phenylphenyl)butanoic acid

C22H20O3 — CID 3069703

IUPAC(2S,3R)-3-hydroxy-3-phenyl-2-(4-phenylphenyl)butanoic acid
SMILESC[C@](O)(c1ccccc1)[C@@H](C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20O3/c1-22(25,19-10-6-3-7-11-19)20(21(23)24)18-14-12-17(13-15-18)16-8-4-2-5-9-16/h2-15,20,25H,1H3,(H,23,24)/t20-,22+/m1/s1
InChIKeyDPYOMKYUWLNESO-IRLDBZIGSA-N
MW332.40 g/mol
LogP4.43
Rot. Bonds5

About (2S,3R)-3-hydroxy-3-phenyl-2-(4-phenylphenyl)butanoic acid

(2S,3R)-3-hydroxy-3-phenyl-2-(4-phenylphenyl)butanoic acid (PubChem CID 3069703) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-3-phenyl-2-(4-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-3-phenyl-2-(4-phenylphenyl)butanoic acid
PubChem CID3069703
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name(2S,3R)-3-hydroxy-3-phenyl-2-(4-phenylphenyl)butanoic acid
SMILESC[C@](O)(c1ccccc1)[C@@H](C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20O3/c1-22(25,19-10-6-3-7-11-19)20(21(23)24)18-14-12-17(13-15-18)16-8-4-2-5-9-16/h2-15,20,25H,1H3,(H,23,24)/t20-,22+/m1/s1
InChIKeyDPYOMKYUWLNESO-IRLDBZIGSA-N
XLogP4.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-3-phenyl-2-(4-phenylphenyl)butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-3-phenyl-2-(4-phenylphenyl)butanoic acid (CID 3069703) is (2S,3R)-3-hydroxy-3-phenyl-2-(4-phenylphenyl)butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-3-phenyl-2-(4-phenylphenyl)butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-3-phenyl-2-(4-phenylphenyl)butanoic acid is C[C@](O)(c1ccccc1)[C@@H](C(=O)O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S,3R)-3-hydroxy-3-phenyl-2-(4-phenylphenyl)butanoic acid?
The InChIKey is DPYOMKYUWLNESO-IRLDBZIGSA-N. The full InChI is InChI=1S/C22H20O3/c1-22(25,19-10-6-3-7-11-19)20(21(23)24)18-14-12-17(13-15-18)16-8-4-2-5-9-16/h2-15,20,25H,1H3,(H,23,24)/t20-,22+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-3-phenyl-2-(4-phenylphenyl)butanoic acid?
(2S,3R)-3-hydroxy-3-phenyl-2-(4-phenylphenyl)butanoic acid has a molecular weight of 332.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-3-phenyl-2-(4-phenylphenyl)butanoic acid is sourced from PubChem (CID 3069703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).