3-(3-tert-butyl-2-hydroxy-6-methylphenyl)-2-methylpropanoic acid

C15H22O3 — CID 117379517

IUPAC3-(3-tert-butyl-2-hydroxy-6-methylphenyl)-2-methylpropanoic acid
SMILESCc1ccc(C(C)(C)C)c(O)c1CC(C)C(=O)O
InChIInChI=1S/C15H22O3/c1-9-6-7-12(15(3,4)5)13(16)11(9)8-10(2)14(17)18/h6-7,10,16H,8H2,1-5H3,(H,17,18)
InChIKeyXUERPRURGPMJHC-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.26
Rot. Bonds3

About 3-(3-tert-butyl-2-hydroxy-6-methylphenyl)-2-methylpropanoic acid

3-(3-tert-butyl-2-hydroxy-6-methylphenyl)-2-methylpropanoic acid (PubChem CID 117379517) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(3-tert-butyl-2-hydroxy-6-methylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-tert-butyl-2-hydroxy-6-methylphenyl)-2-methylpropanoic acid
PubChem CID117379517
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-(3-tert-butyl-2-hydroxy-6-methylphenyl)-2-methylpropanoic acid
SMILESCc1ccc(C(C)(C)C)c(O)c1CC(C)C(=O)O
InChIInChI=1S/C15H22O3/c1-9-6-7-12(15(3,4)5)13(16)11(9)8-10(2)14(17)18/h6-7,10,16H,8H2,1-5H3,(H,17,18)
InChIKeyXUERPRURGPMJHC-UHFFFAOYSA-N
XLogP3.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-methylpropanoic acid
CID 84699462
3-(3-tert-butyl-2-hydroxy-6-methylphenyl)propanoic acid
CID 117345064
3-(2-hydroxy-3-methyl-6-methylsulfanylphenyl)-2-methylpropanoic acid
CID 117353734
3-(4-bromo-2-hydroxy-3,6-dimethylphenyl)-2-methylpropanoic acid
CID 117463133
3-(4-chloro-2-hydroxy-3-methoxy-6-methylphenyl)-2-methylpropanoic acid
CID 117400516
3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 84689070
3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid
CID 84713491
2,6-ditert-butylphenol;2-methylpropanedioic acid
CID 158945163
6-tert-butyl-2-(1-hydroxypropan-2-yl)-3-methylphenol
CID 117318681
5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid
CID 88714569
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
3-(2-bromo-6-methoxy-3-methylphenyl)-2-methylpropanoic acid
CID 84813954

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-2-hydroxy-6-methylphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-tert-butyl-2-hydroxy-6-methylphenyl)-2-methylpropanoic acid (CID 117379517) is 3-(3-tert-butyl-2-hydroxy-6-methylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-tert-butyl-2-hydroxy-6-methylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-tert-butyl-2-hydroxy-6-methylphenyl)-2-methylpropanoic acid is Cc1ccc(C(C)(C)C)c(O)c1CC(C)C(=O)O.
What is the InChIKey of 3-(3-tert-butyl-2-hydroxy-6-methylphenyl)-2-methylpropanoic acid?
The InChIKey is XUERPRURGPMJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-9-6-7-12(15(3,4)5)13(16)11(9)8-10(2)14(17)18/h6-7,10,16H,8H2,1-5H3,(H,17,18).
What are the key properties of 3-(3-tert-butyl-2-hydroxy-6-methylphenyl)-2-methylpropanoic acid?
3-(3-tert-butyl-2-hydroxy-6-methylphenyl)-2-methylpropanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-2-hydroxy-6-methylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 117379517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).