4-(4-tert-butyl-2-methylphenyl)butanoic acid

C15H22O2 — CID 82496433

IUPAC4-(4-tert-butyl-2-methylphenyl)butanoic acid
SMILESCc1cc(C(C)(C)C)ccc1CCCC(=O)O
InChIInChI=1S/C15H22O2/c1-11-10-13(15(2,3)4)9-8-12(11)6-5-7-14(16)17/h8-10H,5-7H2,1-4H3,(H,16,17)
InChIKeyJCEPLDDQZRQWIV-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.70
Rot. Bonds4

About 4-(4-tert-butyl-2-methylphenyl)butanoic acid

4-(4-tert-butyl-2-methylphenyl)butanoic acid (PubChem CID 82496433) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-methylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(4-tert-butyl-2-methylphenyl)butanoic acid
PubChem CID82496433
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-(4-tert-butyl-2-methylphenyl)butanoic acid
SMILESCc1cc(C(C)(C)C)ccc1CCCC(=O)O
InChIInChI=1S/C15H22O2/c1-11-10-13(15(2,3)4)9-8-12(11)6-5-7-14(16)17/h8-10H,5-7H2,1-4H3,(H,16,17)
InChIKeyJCEPLDDQZRQWIV-UHFFFAOYSA-N
XLogP3.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-tert-butyl-2-methylphenyl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide
CID 116846533
4-(17-carboxyheptadecyl)-3-methylbenzoic acid
CID 54333314
4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid
CID 117379432
4-(2-methyl-4-methylsulfonylphenyl)butanoic acid
CID 117394411
5-(5-tert-butyl-2-methylanilino)pentanoic acid
CID 115218859
3-[2-(5-tert-butyl-2-methylphenyl)ethylamino]propanoic acid
CID 115005536
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
2-(4-tert-butyl-2-methylphenyl)ethylcarbamothioic S-acid
CID 115170312
4-(3-tert-butyl-5-methylphenyl)butanoic acid
CID 56976485
(E)-6-(5-tert-butyl-2-methylphenyl)hex-5-enoic acid
CID 95466871
N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140102
N'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide
CID 115192000

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-methylphenyl)butanoic acid?
The IUPAC name of 4-(4-tert-butyl-2-methylphenyl)butanoic acid (CID 82496433) is 4-(4-tert-butyl-2-methylphenyl)butanoic acid.
What is the SMILES notation for 4-(4-tert-butyl-2-methylphenyl)butanoic acid?
The canonical SMILES for 4-(4-tert-butyl-2-methylphenyl)butanoic acid is Cc1cc(C(C)(C)C)ccc1CCCC(=O)O.
What is the InChIKey of 4-(4-tert-butyl-2-methylphenyl)butanoic acid?
The InChIKey is JCEPLDDQZRQWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-10-13(15(2,3)4)9-8-12(11)6-5-7-14(16)17/h8-10H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 4-(4-tert-butyl-2-methylphenyl)butanoic acid?
4-(4-tert-butyl-2-methylphenyl)butanoic acid has a molecular weight of 234.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-methylphenyl)butanoic acid is sourced from PubChem (CID 82496433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).