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

C25H26O3 — CID 10571458

IUPAC2-methyl-3-(2-phenylphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid
SMILESCC(C)c1ccc(OC(C)(Cc2ccccc2-c2ccccc2)C(=O)O)cc1
InChIInChI=1S/C25H26O3/c1-18(2)19-13-15-22(16-14-19)28-25(3,24(26)27)17-21-11-7-8-12-23(21)20-9-5-4-6-10-20/h4-16,18H,17H2,1-3H3,(H,26,27)
InChIKeyGPSMFTJRDQOPNB-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.94
Rot. Bonds7

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

2-methyl-3-(2-phenylphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid (PubChem CID 10571458) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-methyl-3-(2-phenylphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-phenylphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid
PubChem CID10571458
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name2-methyl-3-(2-phenylphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid
SMILESCC(C)c1ccc(OC(C)(Cc2ccccc2-c2ccccc2)C(=O)O)cc1
InChIInChI=1S/C25H26O3/c1-18(2)19-13-15-22(16-14-19)28-25(3,24(26)27)17-21-11-7-8-12-23(21)20-9-5-4-6-10-20/h4-16,18H,17H2,1-3H3,(H,26,27)
InChIKeyGPSMFTJRDQOPNB-UHFFFAOYSA-N
XLogP5.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(2-phenylphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 10688529
3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid
CID 18626041
[2-(4-propan-2-ylphenyl)phenyl]methanol
CID 69041702
2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid
CID 22261112
2-methyl-2-(4-propan-2-ylphenoxy)-3-[4-[2-[(4-pyridin-2-ylbenzoyl)amino]ethoxy]phenyl]propanoic acid
CID 10030159
tert-butyl 2-methyl-2-(4-propan-2-ylphenoxy)butanoate
CID 170191000
3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
CID 10619958
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
carbonic acid;1-(2-methylpropyl)-2-phenylbenzene
CID 157367920
3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
CID 10714560
(4-propan-2-ylphenyl) 2-phenylacetate
CID 917902

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-phenylphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid?
The IUPAC name of 2-methyl-3-(2-phenylphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid (CID 10571458) is 2-methyl-3-(2-phenylphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid.
What is the SMILES notation for 2-methyl-3-(2-phenylphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid?
The canonical SMILES for 2-methyl-3-(2-phenylphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid is CC(C)c1ccc(OC(C)(Cc2ccccc2-c2ccccc2)C(=O)O)cc1.
What is the InChIKey of 2-methyl-3-(2-phenylphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid?
The InChIKey is GPSMFTJRDQOPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3/c1-18(2)19-13-15-22(16-14-19)28-25(3,24(26)27)17-21-11-7-8-12-23(21)20-9-5-4-6-10-20/h4-16,18H,17H2,1-3H3,(H,26,27).
What are the key properties of 2-methyl-3-(2-phenylphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid?
2-methyl-3-(2-phenylphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid has a molecular weight of 374.48 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-phenylphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid is sourced from PubChem (CID 10571458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).