(2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid

C12H16O3 — CID 45117198

IUPAC(2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid
SMILESCC(C)Cc1ccc([C@@H](O)C(=O)O)cc1
InChIInChI=1S/C12H16O3/c1-8(2)7-9-3-5-10(6-4-9)11(13)12(14)15/h3-6,8,11,13H,7H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyJXPAIKLCYWSQED-LLVKDONJSA-N
MW208.26 g/mol
LogP2.00
Rot. Bonds4

About (2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid

(2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid (PubChem CID 45117198) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid
PubChem CID45117198
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid
SMILESCC(C)Cc1ccc([C@@H](O)C(=O)O)cc1
InChIInChI=1S/C12H16O3/c1-8(2)7-9-3-5-10(6-4-9)11(13)12(14)15/h3-6,8,11,13H,7H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyJXPAIKLCYWSQED-LLVKDONJSA-N
XLogP2.00
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 175760114
CID 175760114
Ibuprofen (sodium)
CID 45052535
3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid
CID 45117186
CID 169425922
CID 169425922
1-(dimethylamino)ethanol;2-[4-(2-methylpropyl)phenyl]propanoic acid;hydrochloride
CID 70389408
2-[4-(fluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117279701
potassium;2-[4-(2-methylpropyl)phenyl]propanoate;2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 46175191
(2S,3R)-2-amino-3-hydroxybutanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 68525952
(2R)-3-[4-[(1R)-1-carboxyethyl]phenyl]-2-methylpropanoic acid
CID 14367773
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788
3,3-dimethyl-2-[4-[4-(2-methylpropyl)phenyl]phenyl]butanoic acid
CID 71065139
3-[4-(1-fluoroethyl)phenyl]-2-methylpropanoic acid
CID 84677758

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid?
The IUPAC name of (2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid (CID 45117198) is (2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid?
The canonical SMILES for (2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid is CC(C)Cc1ccc([C@@H](O)C(=O)O)cc1.
What is the InChIKey of (2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid?
The InChIKey is JXPAIKLCYWSQED-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16O3/c1-8(2)7-9-3-5-10(6-4-9)11(13)12(14)15/h3-6,8,11,13H,7H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid?
(2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid has a molecular weight of 208.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid is sourced from PubChem (CID 45117198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).