2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid

C22H28O3 — CID 10688529

IUPAC2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1ccc(CC(C)(Oc2ccc(C(C)C)cc2)C(=O)O)cc1
InChIInChI=1S/C22H28O3/c1-15(2)18-8-6-17(7-9-18)14-22(5,21(23)24)25-20-12-10-19(11-13-20)16(3)4/h6-13,15-16H,14H2,1-5H3,(H,23,24)
InChIKeyJIGRGDVRYVTLCA-UHFFFAOYSA-N
MW340.46 g/mol
LogP5.40
Rot. Bonds7

About 2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid

2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid (PubChem CID 10688529) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
PubChem CID10688529
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1ccc(CC(C)(Oc2ccc(C(C)C)cc2)C(=O)O)cc1
InChIInChI=1S/C22H28O3/c1-15(2)18-8-6-17(7-9-18)14-22(5,21(23)24)25-20-12-10-19(11-13-20)16(3)4/h6-13,15-16H,14H2,1-5H3,(H,23,24)
InChIKeyJIGRGDVRYVTLCA-UHFFFAOYSA-N
XLogP5.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.46
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid
CID 18626041
ethyl 3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate
CID 10713588
2-methyl-3-(2-phenylphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid
CID 10571458
ethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate
CID 10522251
3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
CID 10619958
2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid
CID 22261112
3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
CID 10714560
2-[(4-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)butanoic acid
CID 10760041
2-methyl-2-(4-propan-2-ylphenoxy)-3-[4-[2-[(4-pyridin-2-ylbenzoyl)amino]ethoxy]phenyl]propanoic acid
CID 10030159
2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
CID 82129570
2-methyl-2-(4-propan-2-ylphenoxy)-3-[4-[2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]ethoxy]phenyl]propanoic acid
CID 10099979
tert-butyl 2-methyl-2-(4-propan-2-ylphenoxy)butanoate
CID 170191000

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid (CID 10688529) is 2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid is CC(C)c1ccc(CC(C)(Oc2ccc(C(C)C)cc2)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid?
The InChIKey is JIGRGDVRYVTLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3/c1-15(2)18-8-6-17(7-9-18)14-22(5,21(23)24)25-20-12-10-19(11-13-20)16(3)4/h6-13,15-16H,14H2,1-5H3,(H,23,24).
What are the key properties of 2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid?
2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid has a molecular weight of 340.46 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 10688529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).