3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid

C11H13ClO3 — CID 62396227

IUPAC3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid
SMILESCC(C(=O)O)C(C)(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO3/c1-7(10(13)14)11(2,15)8-3-5-9(12)6-4-8/h3-7,15H,1-2H3,(H,13,14)
InChIKeyAFMWDCVBMSWHCT-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.27
Rot. Bonds3

About 3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid

3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid (PubChem CID 62396227) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid
PubChem CID62396227
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid
SMILESCC(C(=O)O)C(C)(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO3/c1-7(10(13)14)11(2,15)8-3-5-9(12)6-4-8/h3-7,15H,1-2H3,(H,13,14)
InChIKeyAFMWDCVBMSWHCT-UHFFFAOYSA-N
XLogP2.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2-methyl-3-(4-methylsulfanylphenyl)butanoic acid
CID 62399021
3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid
CID 62397995
2-[2-(4-chlorophenyl)propan-2-yl]propanedioic acid
CID 90150684
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
(2S)-2-amino-3-(4-chlorophenyl)-3-methylbutanoic acid
CID 67539036
2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol
CID 66039095
2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 110466165
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid
CID 62397630
3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid
CID 62396641
methyl 3-(3-chloro-4-fluorophenyl)-3-hydroxy-2-methylbutanoate
CID 55071407
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid
CID 115219650

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid (CID 62396227) is 3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid is CC(C(=O)O)C(C)(O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid?
The InChIKey is AFMWDCVBMSWHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-7(10(13)14)11(2,15)8-3-5-9(12)6-4-8/h3-7,15H,1-2H3,(H,13,14).
What are the key properties of 3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid?
3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid has a molecular weight of 228.67 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid is sourced from PubChem (CID 62396227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).