2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid

C15H22O3 — CID 82131491

IUPAC2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1ccc(C(C)(C)C)cc1C(C)(C)C(=O)O
InChIInChI=1S/C15H22O3/c1-14(2,3)10-7-8-12(18-6)11(9-10)15(4,5)13(16)17/h7-9H,1-6H3,(H,16,17)
InChIKeyDYUBSEYGCGSBAL-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.35
Rot. Bonds3

About 2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid

2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid (PubChem CID 82131491) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid
PubChem CID82131491
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1ccc(C(C)(C)C)cc1C(C)(C)C(=O)O
InChIInChI=1S/C15H22O3/c1-14(2,3)10-7-8-12(18-6)11(9-10)15(4,5)13(16)17/h7-9H,1-6H3,(H,16,17)
InChIKeyDYUBSEYGCGSBAL-UHFFFAOYSA-N
XLogP3.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid
CID 82160103
2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid
CID 82133860
2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid
CID 141045302
ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate
CID 3261124
1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 82049197
2-(4-methoxy-3-pyridinyl)-2-methylpropanoic acid
CID 115009175
2-(3-methoxy-4-sulfanylphenyl)-2-methylpropanoic acid
CID 22504943
4-tert-butyl-2-methoxy-N,N-dimethylbenzamide
CID 69030302
2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82129591
2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid
CID 82039191
2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid
CID 105423410
2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid (CID 82131491) is 2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid is COc1ccc(C(C)(C)C)cc1C(C)(C)C(=O)O.
What is the InChIKey of 2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid?
The InChIKey is DYUBSEYGCGSBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(2,3)10-7-8-12(18-6)11(9-10)15(4,5)13(16)17/h7-9H,1-6H3,(H,16,17).
What are the key properties of 2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid?
2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 82131491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).