2-ethoxy-2-methyl-3,3-diphenylpropanoic acid

C18H20O3 — CID 115590588

IUPAC2-ethoxy-2-methyl-3,3-diphenylpropanoic acid
SMILESCCOC(C)(C(=O)O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O3/c1-3-21-18(2,17(19)20)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3,(H,19,20)
InChIKeyFHWLFTMCJBOBBX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.70
Rot. Bonds6

About 2-ethoxy-2-methyl-3,3-diphenylpropanoic acid

2-ethoxy-2-methyl-3,3-diphenylpropanoic acid (PubChem CID 115590588) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-3,3-diphenylpropanoic acid.

Molecular Properties

Compound Name2-ethoxy-2-methyl-3,3-diphenylpropanoic acid
PubChem CID115590588
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-ethoxy-2-methyl-3,3-diphenylpropanoic acid
SMILESCCOC(C)(C(=O)O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O3/c1-3-21-18(2,17(19)20)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3,(H,19,20)
InChIKeyFHWLFTMCJBOBBX-UHFFFAOYSA-N
XLogP3.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethoxy-2-methyl-3,3-diphenylpropanoic 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

N-(2,2,2-triethoxy-1-phenylethyl)acetamide
CID 10968440
2,2-dimethyl-3,3-diphenylpropan-1-ol
CID 15315706
ethyl (2S)-3,3-dimethyl-2-phenylbutanoate
CID 66805498
ethyl 2-methyl-2-nitro-3,3-diphenylpropanoate
CID 132609228
2-ethoxy-3-methyl-2-phenylbutanoic acid
CID 15450552
N-ethyl-2,2-dimethyl-3-phenylbutanamide
CID 59419624
2-[2-(2-hydroxyethoxy)-1,1-diphenylpropan-2-yl]oxyethanol
CID 89120579
(3S)-2,2-diethoxy-3-[[(1S)-1-phenylethyl]amino]hexanoic acid
CID 141386150
2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid
CID 175263687
2-ethoxy-2-methyl-1-phenylbutan-1-one
CID 116746857
ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
CID 759476
ethyl (2S)-2-phenylpropanoate
CID 7204861

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-3,3-diphenylpropanoic acid?
The IUPAC name of 2-ethoxy-2-methyl-3,3-diphenylpropanoic acid (CID 115590588) is 2-ethoxy-2-methyl-3,3-diphenylpropanoic acid.
What is the SMILES notation for 2-ethoxy-2-methyl-3,3-diphenylpropanoic acid?
The canonical SMILES for 2-ethoxy-2-methyl-3,3-diphenylpropanoic acid is CCOC(C)(C(=O)O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-ethoxy-2-methyl-3,3-diphenylpropanoic acid?
The InChIKey is FHWLFTMCJBOBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-21-18(2,17(19)20)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-ethoxy-2-methyl-3,3-diphenylpropanoic acid?
2-ethoxy-2-methyl-3,3-diphenylpropanoic acid has a molecular weight of 284.36 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-3,3-diphenylpropanoic acid is sourced from PubChem (CID 115590588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).