4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid

C14H20O3 — CID 19087131

IUPAC4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid
SMILESCC(C)(C)c1cc(CCCC(=O)O)ccc1O
InChIInChI=1S/C14H20O3/c1-14(2,3)11-9-10(7-8-12(11)15)5-4-6-13(16)17/h7-9,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyDRHLQPNYLZMPSD-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.10
Rot. Bonds4

About 4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid

4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid (PubChem CID 19087131) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid
PubChem CID19087131
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid
SMILESCC(C)(C)c1cc(CCCC(=O)O)ccc1O
InChIInChI=1S/C14H20O3/c1-14(2,3)11-9-10(7-8-12(11)15)5-4-6-13(16)17/h7-9,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyDRHLQPNYLZMPSD-UHFFFAOYSA-N
XLogP3.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid;ethane-1,2-diol
CID 174372134
4-(3-tert-butyl-4-methoxyphenyl)butanoic acid
CID 57172546
2-tert-butyl-4-pentylphenol
CID 19933254
methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 3084638
2-tert-butyl-4-(3-methylsulfanylpropyl)phenol
CID 130368676
4-(2-aminoethyl)-2-tert-butylphenol
CID 82263790
2,2-bis(hydroxymethyl)propane-1,3-diol;tris(3-(3-tert-butyl-4-hydroxyphenyl)propanoic acid);pentadecanethioic S-acid
CID 173394022
3-[3-(1,1-diphenylethyl)-4-hydroxyphenyl]propanoic acid
CID 154452580
4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid
CID 117379432
4-(4-tert-butylisoquinolin-7-yl)butanoic acid
CID 117431420
octadecyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 19979679
4-butyl-2,6-ditert-butylphenol;2-tert-butyl-4-dodecylphenol
CID 22360099

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid?
The IUPAC name of 4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid (CID 19087131) is 4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid?
The canonical SMILES for 4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid is CC(C)(C)c1cc(CCCC(=O)O)ccc1O.
What is the InChIKey of 4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid?
The InChIKey is DRHLQPNYLZMPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-14(2,3)11-9-10(7-8-12(11)15)5-4-6-13(16)17/h7-9,15H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid?
4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 19087131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).