2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid

C15H22O3 — CID 71089254

IUPAC2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid
SMILESCCC(C)(C)c1ccc(OC(C)C(=O)O)c(C)c1
InChIInChI=1S/C15H22O3/c1-6-15(4,5)12-7-8-13(10(2)9-12)18-11(3)14(16)17/h7-9,11H,6H2,1-5H3,(H,16,17)
InChIKeyBKGYZOLZDYGKMI-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.53
Rot. Bonds5

About 2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid

2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid (PubChem CID 71089254) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid
PubChem CID71089254
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid
SMILESCCC(C)(C)c1ccc(OC(C)C(=O)O)c(C)c1
InChIInChI=1S/C15H22O3/c1-6-15(4,5)12-7-8-13(10(2)9-12)18-11(3)14(16)17/h7-9,11H,6H2,1-5H3,(H,16,17)
InChIKeyBKGYZOLZDYGKMI-UHFFFAOYSA-N
XLogP3.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-iodo-2-methylphenoxy)propanoic acid
CID 152974342
(2S)-2-(4-bromo-2-methylphenoxy)propanoic acid
CID 42316822
2-(4-tert-butyl-2-methylphenoxy)propanamide
CID 55023677
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
2-(4-tert-butyl-2-chlorophenoxy)propanoic acid
CID 54793047
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate
CID 94156912
2-(4-acetyloxy-2-methylphenoxy)propanoic acid
CID 170549700
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide
CID 57085661
2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
CID 4992587
2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
CID 117383995
3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol
CID 163614465

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid?
The IUPAC name of 2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid (CID 71089254) is 2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid?
The canonical SMILES for 2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid is CCC(C)(C)c1ccc(OC(C)C(=O)O)c(C)c1.
What is the InChIKey of 2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid?
The InChIKey is BKGYZOLZDYGKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-6-15(4,5)12-7-8-13(10(2)9-12)18-11(3)14(16)17/h7-9,11H,6H2,1-5H3,(H,16,17).
What are the key properties of 2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid?
2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid is sourced from PubChem (CID 71089254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).