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

C13H18O3 — CID 10443535

IUPAC2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(CC(C)(C)O)cc1
InChIInChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)
InChIKeyUJHKVYPPCJBOSG-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.19
Rot. Bonds4

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

2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid (PubChem CID 10443535) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid
PubChem CID10443535
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(CC(C)(C)O)cc1
InChIInChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)
InChIKeyUJHKVYPPCJBOSG-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid (CID 10443535) is 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(CC(C)(C)O)cc1.
What is the InChIKey of 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid?
The InChIKey is UJHKVYPPCJBOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15).
What are the key properties of 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid?
2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid has a molecular weight of 222.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid is sourced from PubChem (CID 10443535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).