4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid

C15H22O3 — CID 117379432

IUPAC4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid
SMILESCc1cc(C(C)(C)C)c(O)cc1CCCC(=O)O
InChIInChI=1S/C15H22O3/c1-10-8-12(15(2,3)4)13(16)9-11(10)6-5-7-14(17)18/h8-9,16H,5-7H2,1-4H3,(H,17,18)
InChIKeyGTUKZZJCQSIGRP-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.41
Rot. Bonds4

About 4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid

4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid (PubChem CID 117379432) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid
PubChem CID117379432
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid
SMILESCc1cc(C(C)(C)C)c(O)cc1CCCC(=O)O
InChIInChI=1S/C15H22O3/c1-10-8-12(15(2,3)4)13(16)9-11(10)6-5-7-14(17)18/h8-9,16H,5-7H2,1-4H3,(H,17,18)
InChIKeyGTUKZZJCQSIGRP-UHFFFAOYSA-N
XLogP3.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butyl-2-methylphenyl)butanoic acid
CID 82496433
2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol
CID 117318740
4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid
CID 19087131
4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid
CID 117345129
3-(2,4-ditert-butyl-3-hydroxy-6-methylphenyl)propanoic acid
CID 154014380
4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid;ethane-1,2-diol
CID 174372134
dodecyl 3-(5-tert-butyl-4-hydroxy-2-methylphenyl)propanoate
CID 21446624
2-(5-tert-butyl-4-hydroxy-2-methylphenyl)acetaldehyde
CID 154998394
4-(3-hydroxy-4,5-dimethylphenyl)butanoic acid
CID 117297452
4-(17-carboxyheptadecyl)-3-methylbenzoic acid
CID 54333314
5-(3-carboxypropyl)-2-fluoro-4-methylbenzoic acid
CID 117352745
4-(3-tert-butyl-4-hydroxy-5-methylphenoxy)butanoic acid
CID 139839087

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid?
The IUPAC name of 4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid (CID 117379432) is 4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid.
What is the SMILES notation for 4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid?
The canonical SMILES for 4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid is Cc1cc(C(C)(C)C)c(O)cc1CCCC(=O)O.
What is the InChIKey of 4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid?
The InChIKey is GTUKZZJCQSIGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10-8-12(15(2,3)4)13(16)9-11(10)6-5-7-14(17)18/h8-9,16H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid?
4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid is sourced from PubChem (CID 117379432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).