3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-3-methylbutanoic acid

C15H22O3 — CID 117379506

IUPAC3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-3-methylbutanoic acid
SMILESCc1ccc(C(C)C)c(O)c1C(C)(C)CC(=O)O
InChIInChI=1S/C15H22O3/c1-9(2)11-7-6-10(3)13(14(11)18)15(4,5)8-12(16)17/h6-7,9,18H,8H2,1-5H3,(H,16,17)
InChIKeyOXVVPWAMEXWNIT-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.58
Rot. Bonds4

About 3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-3-methylbutanoic acid

3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-3-methylbutanoic acid (PubChem CID 117379506) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-3-methylbutanoic acid
PubChem CID117379506
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-3-methylbutanoic acid
SMILESCc1ccc(C(C)C)c(O)c1C(C)(C)CC(=O)O
InChIInChI=1S/C15H22O3/c1-9(2)11-7-6-10(3)13(14(11)18)15(4,5)8-12(16)17/h6-7,9,18H,8H2,1-5H3,(H,16,17)
InChIKeyOXVVPWAMEXWNIT-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-hydroxy-3,6-dimethylphenyl)-3-methylbutanoic acid
CID 59163131
3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid
CID 117415665
2-tert-butyl-3-methyl-6-propan-2-ylphenol
CID 23086797
3-(2-hydroxy-3-methoxy-6-propan-2-ylphenyl)-3-methylbutanoic acid
CID 117419964
3-methyl-3-(2-methylnaphthalen-1-yl)butanoic acid
CID 81432278
2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid
CID 84676017
3-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)propanoic acid
CID 84687629
3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-methylpropanoic acid
CID 84699462
1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one
CID 84674442
2-ethyl-3-methyl-6-propan-2-ylphenol
CID 141031385
3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid
CID 82476446
3-(3-chloro-4-hydroxy-2,6-dimethylphenyl)-3-methylbutanoic acid
CID 117395339

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-3-methylbutanoic acid?
The IUPAC name of 3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-3-methylbutanoic acid (CID 117379506) is 3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-3-methylbutanoic acid?
The canonical SMILES for 3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-3-methylbutanoic acid is Cc1ccc(C(C)C)c(O)c1C(C)(C)CC(=O)O.
What is the InChIKey of 3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-3-methylbutanoic acid?
The InChIKey is OXVVPWAMEXWNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-9(2)11-7-6-10(3)13(14(11)18)15(4,5)8-12(16)17/h6-7,9,18H,8H2,1-5H3,(H,16,17).
What are the key properties of 3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-3-methylbutanoic acid?
3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-3-methylbutanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-3-methylbutanoic acid is sourced from PubChem (CID 117379506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).