diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate

C21H24O5 — CID 67230867

IUPACdiethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate
SMILESCCOC(=O)C(C)(OCc1ccc(-c2ccccc2)cc1)C(=O)OCC
InChIInChI=1S/C21H24O5/c1-4-24-19(22)21(3,20(23)25-5-2)26-15-16-11-13-18(14-12-16)17-9-7-6-8-10-17/h6-14H,4-5,15H2,1-3H3
InChIKeyGSNGDXSABQUNKS-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.76
Rot. Bonds8

About diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate

diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate (PubChem CID 67230867) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate.

Molecular Properties

Compound Namediethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate
PubChem CID67230867
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Namediethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate
SMILESCCOC(=O)C(C)(OCc1ccc(-c2ccccc2)cc1)C(=O)OCC
InChIInChI=1S/C21H24O5/c1-4-24-19(22)21(3,20(23)25-5-2)26-15-16-11-13-18(14-12-16)17-9-7-6-8-10-17/h6-14H,4-5,15H2,1-3H3
InChIKeyGSNGDXSABQUNKS-UHFFFAOYSA-N
XLogP3.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-hydroxy-2-phenylmethoxypropanoate
CID 18454908
ethyl (2S)-2-methyl-3-oxo-3-(2,2,3,3,3-pentafluoropropylamino)-2-phenylmethoxypropanoate
CID 122367679
ethyl 2-[(4-phenylphenyl)methoxy]propanoate
CID 58354424
ethyl 2-methyl-2-[4-[4-(2-phenylmethoxyethyl)phenyl]phenyl]propanoate
CID 118254752
1-O-ethyl 3-O-methyl 2-[[6-(4-fluorophenyl)-3-pyridinyl]methoxy]-2-methylpropanedioate
CID 90294914
[3-ethoxy-2-(hydroxymethyl)-3-oxo-2-[[4-(4-propylphenyl)phenyl]methoxy]propyl] 2,2-dimethylpropanoate
CID 58354353
(2R)-3-ethoxy-2-methyl-3-oxo-2-[(4-phenylmethoxyphenyl)methyl]propanoic acid
CID 101480008
(4-phenylphenyl)methyl carbamate
CID 123751479
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate
CID 154100490
ethyl 2-chloro-3-oxo-2-phenylmethoxyhexanoate
CID 141166754
1-O-benzyl 4-O-ethyl (2S)-2-amino-2-methylbutanedioate
CID 101047093

Frequently Asked Questions

What is the IUPAC name of diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate?
The IUPAC name of diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate (CID 67230867) is diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate.
What is the SMILES notation for diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate?
The canonical SMILES for diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate is CCOC(=O)C(C)(OCc1ccc(-c2ccccc2)cc1)C(=O)OCC.
What is the InChIKey of diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate?
The InChIKey is GSNGDXSABQUNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O5/c1-4-24-19(22)21(3,20(23)25-5-2)26-15-16-11-13-18(14-12-16)17-9-7-6-8-10-17/h6-14H,4-5,15H2,1-3H3.
What are the key properties of diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate?
diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate has a molecular weight of 356.42 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate is sourced from PubChem (CID 67230867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).