diethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate

C23H26O7 — CID 102243693

IUPACdiethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate
SMILESCCOC(=O)C(CC(=O)c1ccc(OC)c(OCc2ccccc2)c1)C(=O)OCC
InChIInChI=1S/C23H26O7/c1-4-28-22(25)18(23(26)29-5-2)14-19(24)17-11-12-20(27-3)21(13-17)30-15-16-9-7-6-8-10-16/h6-13,18H,4-5,14-15H2,1-3H3
InChIKeyFSGNYXYMOKQRAM-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.59
Rot. Bonds11

About diethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate

diethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate (PubChem CID 102243693) has the molecular formula C23H26O7 and a molecular weight of 414.45 g/mol. Its IUPAC name is diethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate
PubChem CID102243693
Molecular FormulaC23H26O7
Molecular Weight414.45 g/mol
Exact Mass414.17
IUPAC Namediethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate
SMILESCCOC(=O)C(CC(=O)c1ccc(OC)c(OCc2ccccc2)c1)C(=O)OCC
InChIInChI=1S/C23H26O7/c1-4-28-22(25)18(23(26)29-5-2)14-19(24)17-11-12-20(27-3)21(13-17)30-15-16-9-7-6-8-10-16/h6-13,18H,4-5,14-15H2,1-3H3
InChIKeyFSGNYXYMOKQRAM-UHFFFAOYSA-N
XLogP3.59
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-phenylmethoxybenzamide
CID 22467475
3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one
CID 146168049
1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one
CID 19049285
ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate
CID 171213027
propan-2-yl 4-methoxy-3-phenylmethoxybenzoate
CID 82186215
diethyl 2-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]propanedioate
CID 102243694
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
CID 83951245
methyl 3-[3,4-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 142350282
ethyl 2-(3,4-dimethoxybenzoyl)-5-oxo-5-phenylpentanoate
CID 19002344
ethyl (E)-3-(3-methoxy-4-phenylmethoxyphenyl)but-2-enoate
CID 23087678

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate?
The IUPAC name of diethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate (CID 102243693) is diethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate.
What is the SMILES notation for diethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate?
The canonical SMILES for diethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate is CCOC(=O)C(CC(=O)c1ccc(OC)c(OCc2ccccc2)c1)C(=O)OCC.
What is the InChIKey of diethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate?
The InChIKey is FSGNYXYMOKQRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O7/c1-4-28-22(25)18(23(26)29-5-2)14-19(24)17-11-12-20(27-3)21(13-17)30-15-16-9-7-6-8-10-16/h6-13,18H,4-5,14-15H2,1-3H3.
What are the key properties of diethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate?
diethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate has a molecular weight of 414.45 g/mol, XLogP of 3.59, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate is sourced from PubChem (CID 102243693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).