(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-phenylpropanoic acid

C21H24O3 — CID 13153062

IUPAC(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)[C@H](c1ccc(C2CCCCC2)cc1)[C@H](O)c1ccccc1
InChIInChI=1S/C21H24O3/c22-20(18-9-5-2-6-10-18)19(21(23)24)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h2,5-6,9-15,19-20,22H,1,3-4,7-8H2,(H,23,24)/t19-,20-/m1/s1
InChIKeyHUVZVHSLWSFPAU-WOJBJXKFSA-N
MW324.42 g/mol
LogP4.64
Rot. Bonds5

About (2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-phenylpropanoic acid

(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-phenylpropanoic acid (PubChem CID 13153062) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-phenylpropanoic acid
PubChem CID13153062
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)[C@H](c1ccc(C2CCCCC2)cc1)[C@H](O)c1ccccc1
InChIInChI=1S/C21H24O3/c22-20(18-9-5-2-6-10-18)19(21(23)24)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h2,5-6,9-15,19-20,22H,1,3-4,7-8H2,(H,23,24)/t19-,20-/m1/s1
InChIKeyHUVZVHSLWSFPAU-WOJBJXKFSA-N
XLogP4.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-phenylpropanoic acid?
The IUPAC name of (2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-phenylpropanoic acid (CID 13153062) is (2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for (2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for (2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-phenylpropanoic acid is O=C(O)[C@H](c1ccc(C2CCCCC2)cc1)[C@H](O)c1ccccc1.
What is the InChIKey of (2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-phenylpropanoic acid?
The InChIKey is HUVZVHSLWSFPAU-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H24O3/c22-20(18-9-5-2-6-10-18)19(21(23)24)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h2,5-6,9-15,19-20,22H,1,3-4,7-8H2,(H,23,24)/t19-,20-/m1/s1.
What are the key properties of (2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-phenylpropanoic acid?
(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-phenylpropanoic acid has a molecular weight of 324.42 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 13153062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).