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

C21H18O3 — CID 3088962

IUPAC(2R,3R)-3-hydroxy-2-phenyl-3-(4-phenylphenyl)propanoic acid
SMILESO=C(O)[C@H](c1ccccc1)[C@@H](O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18O3/c22-20(19(21(23)24)17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19-20,22H,(H,23,24)/t19-,20+/m1/s1
InChIKeyUINTUWKMGYICQF-UXHICEINSA-N
MW318.37 g/mol
LogP4.26
Rot. Bonds5

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

(2R,3R)-3-hydroxy-2-phenyl-3-(4-phenylphenyl)propanoic acid (PubChem CID 3088962) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-2-phenyl-3-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-2-phenyl-3-(4-phenylphenyl)propanoic acid
PubChem CID3088962
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name(2R,3R)-3-hydroxy-2-phenyl-3-(4-phenylphenyl)propanoic acid
SMILESO=C(O)[C@H](c1ccccc1)[C@@H](O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18O3/c22-20(19(21(23)24)17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19-20,22H,(H,23,24)/t19-,20+/m1/s1
InChIKeyUINTUWKMGYICQF-UXHICEINSA-N
XLogP4.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-2-phenyl-3-(4-phenylphenyl)propanoic acid?
The IUPAC name of (2R,3R)-3-hydroxy-2-phenyl-3-(4-phenylphenyl)propanoic acid (CID 3088962) is (2R,3R)-3-hydroxy-2-phenyl-3-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for (2R,3R)-3-hydroxy-2-phenyl-3-(4-phenylphenyl)propanoic acid?
The canonical SMILES for (2R,3R)-3-hydroxy-2-phenyl-3-(4-phenylphenyl)propanoic acid is O=C(O)[C@H](c1ccccc1)[C@@H](O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R,3R)-3-hydroxy-2-phenyl-3-(4-phenylphenyl)propanoic acid?
The InChIKey is UINTUWKMGYICQF-UXHICEINSA-N. The full InChI is InChI=1S/C21H18O3/c22-20(19(21(23)24)17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19-20,22H,(H,23,24)/t19-,20+/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-2-phenyl-3-(4-phenylphenyl)propanoic acid?
(2R,3R)-3-hydroxy-2-phenyl-3-(4-phenylphenyl)propanoic acid has a molecular weight of 318.37 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-2-phenyl-3-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 3088962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).