2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid

C13H18O3 — CID 5228577

IUPAC2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid
SMILESCC(C)Cc1ccc(C(C)(O)C(=O)O)cc1
InChIInChI=1S/C13H18O3/c1-9(2)8-10-4-6-11(7-5-10)13(3,16)12(14)15/h4-7,9,16H,8H2,1-3H3,(H,14,15)
InChIKeyAPEODKDQAWQDLW-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.18
Rot. Bonds4

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

2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid (PubChem CID 5228577) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid
PubChem CID5228577
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid
SMILESCC(C)Cc1ccc(C(C)(O)C(=O)O)cc1
InChIInChI=1S/C13H18O3/c1-9(2)8-10-4-6-11(7-5-10)13(3,16)12(14)15/h4-7,9,16H,8H2,1-3H3,(H,14,15)
InChIKeyAPEODKDQAWQDLW-UHFFFAOYSA-N
XLogP2.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid?
The IUPAC name of 2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid (CID 5228577) is 2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid?
The canonical SMILES for 2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid is CC(C)Cc1ccc(C(C)(O)C(=O)O)cc1.
What is the InChIKey of 2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid?
The InChIKey is APEODKDQAWQDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9(2)8-10-4-6-11(7-5-10)13(3,16)12(14)15/h4-7,9,16H,8H2,1-3H3,(H,14,15).
What are the key properties of 2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid?
2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid has a molecular weight of 222.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid is sourced from PubChem (CID 5228577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).