(1-methoxy-1,1-diphenylpropan-2-yl) 3-oxobutanoate

C20H22O4 — CID 174762715

IUPAC(1-methoxy-1,1-diphenylpropan-2-yl) 3-oxobutanoate
SMILESCOC(c1ccccc1)(c1ccccc1)C(C)OC(=O)CC(C)=O
InChIInChI=1S/C20H22O4/c1-15(21)14-19(22)24-16(2)20(23-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,14H2,1-3H3
InChIKeyMMCRKFSLZQPNHG-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.49
Rot. Bonds7

About (1-methoxy-1,1-diphenylpropan-2-yl) 3-oxobutanoate

(1-methoxy-1,1-diphenylpropan-2-yl) 3-oxobutanoate (PubChem CID 174762715) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (1-methoxy-1,1-diphenylpropan-2-yl) 3-oxobutanoate.

Molecular Properties

Compound Name(1-methoxy-1,1-diphenylpropan-2-yl) 3-oxobutanoate
PubChem CID174762715
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(1-methoxy-1,1-diphenylpropan-2-yl) 3-oxobutanoate
SMILESCOC(c1ccccc1)(c1ccccc1)C(C)OC(=O)CC(C)=O
InChIInChI=1S/C20H22O4/c1-15(21)14-19(22)24-16(2)20(23-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,14H2,1-3H3
InChIKeyMMCRKFSLZQPNHG-UHFFFAOYSA-N
XLogP3.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (1-methoxy-1,1-diphenylpropan-2-yl) 3-oxobutanoate 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-phenylpropan-2-yl 3-oxobutanoate
CID 13319262
(2-methoxy-2-oxo-1-phenylethyl) 3-oxobutanoate
CID 54537935
3-methoxy-2-methoxycarbonyl-3,3-diphenylpropanoic acid
CID 163212872
[2,2-dimethyl-1-(3-oxobutanoyloxy)-1-phenylpropyl] 3-oxobutanoate
CID 54417005
(1-anilino-1-sulfanylidenepropan-2-yl) 3-oxobutanoate
CID 101042453
bis(2-methyl-1,1-diphenylpropyl) carbonate
CID 70626235
butan-2-yl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 13395967
(2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid
CID 122444887
4,4,4-triphenylbutyl 3-oxobutanoate
CID 174480390
3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid
CID 119237712
[(3S,6S)-1,1,1-trideuterio-6-(methylamino)-4,4-diphenylheptan-3-yl] acetate
CID 71751166
methyl 11-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxydodecanoate
CID 14496577

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-1,1-diphenylpropan-2-yl) 3-oxobutanoate?
The IUPAC name of (1-methoxy-1,1-diphenylpropan-2-yl) 3-oxobutanoate (CID 174762715) is (1-methoxy-1,1-diphenylpropan-2-yl) 3-oxobutanoate.
What is the SMILES notation for (1-methoxy-1,1-diphenylpropan-2-yl) 3-oxobutanoate?
The canonical SMILES for (1-methoxy-1,1-diphenylpropan-2-yl) 3-oxobutanoate is COC(c1ccccc1)(c1ccccc1)C(C)OC(=O)CC(C)=O.
What is the InChIKey of (1-methoxy-1,1-diphenylpropan-2-yl) 3-oxobutanoate?
The InChIKey is MMCRKFSLZQPNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-15(21)14-19(22)24-16(2)20(23-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,14H2,1-3H3.
What are the key properties of (1-methoxy-1,1-diphenylpropan-2-yl) 3-oxobutanoate?
(1-methoxy-1,1-diphenylpropan-2-yl) 3-oxobutanoate has a molecular weight of 326.39 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-1,1-diphenylpropan-2-yl) 3-oxobutanoate is sourced from PubChem (CID 174762715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).