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

C14H20O3 — CID 84699462

IUPAC3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-methylpropanoic acid
SMILESCc1ccc(C(C)C)c(O)c1CC(C)C(=O)O
InChIInChI=1S/C14H20O3/c1-8(2)11-6-5-9(3)12(13(11)15)7-10(4)14(16)17/h5-6,8,10,15H,7H2,1-4H3,(H,16,17)
InChIKeyLACMVHBUKAYHBZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.09
Rot. Bonds4

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

3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-methylpropanoic acid (PubChem CID 84699462) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-methylpropanoic acid
PubChem CID84699462
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-methylpropanoic acid
SMILESCc1ccc(C(C)C)c(O)c1CC(C)C(=O)O
InChIInChI=1S/C14H20O3/c1-8(2)11-6-5-9(3)12(13(11)15)7-10(4)14(16)17/h5-6,8,10,15H,7H2,1-4H3,(H,16,17)
InChIKeyLACMVHBUKAYHBZ-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-tert-butyl-2-hydroxy-6-methylphenyl)-2-methylpropanoic acid
CID 117379517
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-(2-hydroxy-3-methyl-6-methylsulfanylphenyl)-2-methylpropanoic acid
CID 117353734
2-amino-3-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)propanoic acid
CID 84700094
2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid
CID 84676017
3-(4-bromo-2-hydroxy-3,6-dimethylphenyl)-2-methylpropanoic acid
CID 117463133
2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol
CID 117317044
3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid
CID 84713491
3-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)propanoic acid
CID 84687629
3-(4-chloro-2-hydroxy-3-methoxy-6-methylphenyl)-2-methylpropanoic acid
CID 117400516
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-methylpropanoic acid (CID 84699462) is 3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-methylpropanoic acid is Cc1ccc(C(C)C)c(O)c1CC(C)C(=O)O.
What is the InChIKey of 3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-methylpropanoic acid?
The InChIKey is LACMVHBUKAYHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-8(2)11-6-5-9(3)12(13(11)15)7-10(4)14(16)17/h5-6,8,10,15H,7H2,1-4H3,(H,16,17).
What are the key properties of 3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-methylpropanoic acid?
3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-methylpropanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.09, 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)-2-methylpropanoic acid is sourced from PubChem (CID 84699462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).