2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid

C15H22O3 — CID 82232441

IUPAC2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid
SMILESCOc1cc(C)c(C(C)(C)C(=O)O)cc1C(C)C
InChIInChI=1S/C15H22O3/c1-9(2)11-8-12(15(4,5)14(16)17)10(3)7-13(11)18-6/h7-9H,1-6H3,(H,16,17)
InChIKeyOOLLZTFSLFGINC-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.49
Rot. Bonds4

About 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid

2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid (PubChem CID 82232441) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid
PubChem CID82232441
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid
SMILESCOc1cc(C)c(C(C)(C)C(=O)O)cc1C(C)C
InChIInChI=1S/C15H22O3/c1-9(2)11-8-12(15(4,5)14(16)17)10(3)7-13(11)18-6/h7-9H,1-6H3,(H,16,17)
InChIKeyOOLLZTFSLFGINC-UHFFFAOYSA-N
XLogP3.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid
CID 105423410
4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonic acid
CID 82478576
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid
CID 115170722
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid
CID 82481489
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116918708
3-methoxy-4-propan-2-ylbenzoic acid
CID 20750185
3-(4-methoxy-2,5-dimethylphenyl)-3-methylbutan-2-one
CID 82286345
4-(4-methoxy-2-methyl-5-propan-2-ylanilino)butanoic acid
CID 115218428
2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid
CID 82293509
4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid
CID 116926751
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one
CID 94978273
3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-one
CID 94978468

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid (CID 82232441) is 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid is COc1cc(C)c(C(C)(C)C(=O)O)cc1C(C)C.
What is the InChIKey of 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid?
The InChIKey is OOLLZTFSLFGINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-9(2)11-8-12(15(4,5)14(16)17)10(3)7-13(11)18-6/h7-9H,1-6H3,(H,16,17).
What are the key properties of 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid?
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 82232441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).