(2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid

C13H18O3 — CID 70212067

IUPAC(2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid
SMILESCC[C@@](O)(CCCc1ccccc1)C(=O)O
InChIInChI=1S/C13H18O3/c1-2-13(16,12(14)15)10-6-9-11-7-4-3-5-8-11/h3-5,7-8,16H,2,6,9-10H2,1H3,(H,14,15)/t13-/m1/s1
InChIKeyGMZZMEUUZCWZFR-CYBMUJFWSA-N
MW222.28 g/mol
LogP2.23
Rot. Bonds6

About (2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid

(2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid (PubChem CID 70212067) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid
PubChem CID70212067
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid
SMILESCC[C@@](O)(CCCc1ccccc1)C(=O)O
InChIInChI=1S/C13H18O3/c1-2-13(16,12(14)15)10-6-9-11-7-4-3-5-8-11/h3-5,7-8,16H,2,6,9-10H2,1H3,(H,14,15)/t13-/m1/s1
InChIKeyGMZZMEUUZCWZFR-CYBMUJFWSA-N
XLogP2.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
CID 66960054
2-hydroxy-2-(3-phenylpropyl)propanedioic acid
CID 121011263
2-benzyl-2-hydroxybutanoic acid
CID 22013212
3-ethyl-2-methyl-6-phenylhexan-3-ol
CID 65146545
2-dodecyl-2-(3-phenylpropyl)propanedioic acid
CID 139782878
2-ethyl-2-hydroxyhexanoic acid
CID 20700530
2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid
CID 22937872
2,2-dihydroxy-22-phenyldocosanoic acid
CID 54471325
4-methyl-1-phenylheptan-4-ol
CID 67874665
2-methyl-2-(4-phenylbutyl)propanedioic acid
CID 22618855
(2-carboxy-2-hydroxy-5-phenylpentyl)-oxo-(phenylsulfanylmethyl)phosphanium
CID 18516561
butylbenzene;carbonic acid
CID 158278492

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid?
The IUPAC name of (2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid (CID 70212067) is (2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid.
What is the SMILES notation for (2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid?
The canonical SMILES for (2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid is CC[C@@](O)(CCCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid?
The InChIKey is GMZZMEUUZCWZFR-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18O3/c1-2-13(16,12(14)15)10-6-9-11-7-4-3-5-8-11/h3-5,7-8,16H,2,6,9-10H2,1H3,(H,14,15)/t13-/m1/s1.
What are the key properties of (2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid?
(2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid has a molecular weight of 222.28 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid is sourced from PubChem (CID 70212067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).