4-hydroxy-4-(4-methylphenyl)butanoic acid

C11H14O3 — CID 3163602

IUPAC4-hydroxy-4-(4-methylphenyl)butanoic acid
SMILESCc1ccc(C(O)CCC(=O)O)cc1
InChIInChI=1S/C11H14O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-5,10,12H,6-7H2,1H3,(H,13,14)
InChIKeyVKVBWRIOCRUFGP-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.89
Rot. Bonds4

About 4-hydroxy-4-(4-methylphenyl)butanoic acid

4-hydroxy-4-(4-methylphenyl)butanoic acid (PubChem CID 3163602) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-hydroxy-4-(4-methylphenyl)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-4-(4-methylphenyl)butanoic acid
PubChem CID3163602
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-hydroxy-4-(4-methylphenyl)butanoic acid
SMILESCc1ccc(C(O)CCC(=O)O)cc1
InChIInChI=1S/C11H14O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-5,10,12H,6-7H2,1H3,(H,13,14)
InChIKeyVKVBWRIOCRUFGP-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(4-methylphenyl)butanoic acid?
The IUPAC name of 4-hydroxy-4-(4-methylphenyl)butanoic acid (CID 3163602) is 4-hydroxy-4-(4-methylphenyl)butanoic acid.
What is the SMILES notation for 4-hydroxy-4-(4-methylphenyl)butanoic acid?
The canonical SMILES for 4-hydroxy-4-(4-methylphenyl)butanoic acid is Cc1ccc(C(O)CCC(=O)O)cc1.
What is the InChIKey of 4-hydroxy-4-(4-methylphenyl)butanoic acid?
The InChIKey is VKVBWRIOCRUFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-5,10,12H,6-7H2,1H3,(H,13,14).
What are the key properties of 4-hydroxy-4-(4-methylphenyl)butanoic acid?
4-hydroxy-4-(4-methylphenyl)butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(4-methylphenyl)butanoic acid is sourced from PubChem (CID 3163602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).