4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid

C14H20O3 — CID 117345129

IUPAC4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid
SMILESCC(C)(C)c1cccc(CCCC(=O)O)c1O
InChIInChI=1S/C14H20O3/c1-14(2,3)11-8-4-6-10(13(11)17)7-5-9-12(15)16/h4,6,8,17H,5,7,9H2,1-3H3,(H,15,16)
InChIKeyHQMFAHBIJNYWJY-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.10
Rot. Bonds4

About 4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid

4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid (PubChem CID 117345129) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid
PubChem CID117345129
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid
SMILESCC(C)(C)c1cccc(CCCC(=O)O)c1O
InChIInChI=1S/C14H20O3/c1-14(2,3)11-8-4-6-10(13(11)17)7-5-9-12(15)16/h4,6,8,17H,5,7,9H2,1-3H3,(H,15,16)
InChIKeyHQMFAHBIJNYWJY-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

9-[3-tert-butyl-2-(8-carboxyoctyl)phenyl]nonanoic acid
CID 151072261
3-[3-(2-fluoropropan-2-yl)-2-hydroxyphenyl]propanoic acid
CID 84690441
2-tert-butyl-6-pentadecylphenol
CID 151192860
3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide
CID 21199692
4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid
CID 117378294
4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid
CID 117379432
3-(3-tert-butyl-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 21199638
4-(4-tert-butyl-2-methylphenyl)butanoic acid
CID 82496433
4-(2-fluoro-3-methylphenyl)butanoic acid
CID 83698983
4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid
CID 19087131
methyl 4-(2-tert-butylphenyl)butanoate
CID 158714084
4-(3-chloro-2-hydroxy-4-methylphenyl)butanoic acid
CID 117329471

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid?
The IUPAC name of 4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid (CID 117345129) is 4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid?
The canonical SMILES for 4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid is CC(C)(C)c1cccc(CCCC(=O)O)c1O.
What is the InChIKey of 4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid?
The InChIKey is HQMFAHBIJNYWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-14(2,3)11-8-4-6-10(13(11)17)7-5-9-12(15)16/h4,6,8,17H,5,7,9H2,1-3H3,(H,15,16).
What are the key properties of 4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid?
4-(3-tert-butyl-2-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-2-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 117345129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).