(2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid

C10H11ClO3 — CID 130693679

IUPAC(2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid
SMILESC[C@](O)(Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H11ClO3/c1-10(14,9(12)13)6-7-2-4-8(11)5-3-7/h2-5,14H,6H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyYYTFWHHFIVITKN-JTQLQIEISA-N
MW214.65 g/mol
LogP1.72
Rot. Bonds3

About (2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid

(2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid (PubChem CID 130693679) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is (2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid
PubChem CID130693679
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name(2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid
SMILESC[C@](O)(Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H11ClO3/c1-10(14,9(12)13)6-7-2-4-8(11)5-3-7/h2-5,14H,6H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyYYTFWHHFIVITKN-JTQLQIEISA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid
CID 150559838
3-[(4-chlorophenyl)methylsulfanyl]-2-hydroxy-2-methylpropanoic acid
CID 114790011
3-[(4-chlorophenyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 104643847
3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid
CID 24978280
2-chloro-2-[(4-chlorophenyl)methyl]propanedioic acid
CID 122378563
3-[(4-chlorophenyl)methylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173045
(2S)-2-amino-2-[(4-chlorophenyl)methyl]butanoic acid
CID 70178443
1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
4-(4-chlorophenyl)-2-ethyl-2-methylbutanoic acid
CID 171407879
2-chloro-4-(4-chlorophenyl)-3,3-dimethylbutanamide
CID 140676450
3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
CID 10619958

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of (2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid (CID 130693679) is (2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for (2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for (2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid is C[C@](O)(Cc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is YYTFWHHFIVITKN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11ClO3/c1-10(14,9(12)13)6-7-2-4-8(11)5-3-7/h2-5,14H,6H2,1H3,(H,12,13)/t10-/m0/s1.
What are the key properties of (2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid?
(2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 214.65 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 130693679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).