(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid

C16H22O3 — CID 13153059

IUPAC(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid
SMILESC[C@H](O)[C@H](C(=O)O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H22O3/c1-11(17)15(16(18)19)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12,15,17H,2-6H2,1H3,(H,18,19)/t11-,15-/m0/s1
InChIKeyLNDKEFFVJSOTLX-NHYWBVRUSA-N
MW262.35 g/mol
LogP3.28
Rot. Bonds4

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

(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid (PubChem CID 13153059) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid
PubChem CID13153059
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid
SMILESC[C@H](O)[C@H](C(=O)O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H22O3/c1-11(17)15(16(18)19)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12,15,17H,2-6H2,1H3,(H,18,19)/t11-,15-/m0/s1
InChIKeyLNDKEFFVJSOTLX-NHYWBVRUSA-N
XLogP3.28
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-(4-methylphenyl)propanoic acid
CID 13153065
2-(4-cyclobutylphenyl)propanoic acid
CID 116506632
(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid
CID 66512949
2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid
CID 82090569
3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
2-[1-(4-cyclohexylphenyl)ethylsulfanyl]acetic acid
CID 21393949
2-[1-(4-cyclohexylphenyl)-2-ethoxy-2-oxoethyl]sulfanylpropanoic acid
CID 19981869
2-[(4-cyclohexylbenzoyl)amino]propanoic acid
CID 110466195
2-amino-2-(4-cyclohexylphenyl)acetamide
CID 116850743
2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide
CID 94282738
1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one
CID 116859922
4-[(4-cyclohexylphenyl)-sulfanylmethyl]benzoic acid
CID 22216670

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid?
The IUPAC name of (2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid (CID 13153059) is (2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid.
What is the SMILES notation for (2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid?
The canonical SMILES for (2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid is C[C@H](O)[C@H](C(=O)O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid?
The InChIKey is LNDKEFFVJSOTLX-NHYWBVRUSA-N. The full InChI is InChI=1S/C16H22O3/c1-11(17)15(16(18)19)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12,15,17H,2-6H2,1H3,(H,18,19)/t11-,15-/m0/s1.
What are the key properties of (2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid?
(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.28, 4 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-hydroxybutanoic acid is sourced from PubChem (CID 13153059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).