(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid

C10H11ClO3 — CID 68768818

IUPAC(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
SMILESC[C@@H](C(=O)O)[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO3/c1-6(10(13)14)9(12)7-2-4-8(11)5-3-7/h2-6,9,12H,1H3,(H,13,14)/t6-,9-/m1/s1
InChIKeySMRFCXAJDXDMBN-HZGVNTEJSA-N
MW214.65 g/mol
LogP2.09
Rot. Bonds3

About (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid

(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid (PubChem CID 68768818) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
PubChem CID68768818
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
SMILESC[C@@H](C(=O)O)[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO3/c1-6(10(13)14)9(12)7-2-4-8(11)5-3-7/h2-6,9,12H,1H3,(H,13,14)/t6-,9-/m1/s1
InChIKeySMRFCXAJDXDMBN-HZGVNTEJSA-N
XLogP2.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866
2-[(4-chlorophenyl)-hydroxymethyl]butanoic acid
CID 62396823
(2S)-3-amino-3-(4-chlorophenyl)-2-methylpropanoic acid
CID 156800867
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498873
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyphenyl)-2-methylpropan-1-one
CID 59052450
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
3-hydroxy-3-(4-methoxycarbonylphenyl)-2-methylpropanoic acid
CID 70160965
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 102032206
(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid
CID 82312991
(2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 70537702

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid?
The IUPAC name of (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid (CID 68768818) is (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid?
The canonical SMILES for (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid is C[C@@H](C(=O)O)[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid?
The InChIKey is SMRFCXAJDXDMBN-HZGVNTEJSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6(10(13)14)9(12)7-2-4-8(11)5-3-7/h2-6,9,12H,1H3,(H,13,14)/t6-,9-/m1/s1.
What are the key properties of (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid?
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid has a molecular weight of 214.65 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 68768818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).