[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate

C23H28O7 — CID 7489220

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
SMILESCCOc1cc(C(=O)OCC(=O)c2cc(OC)ccc2OC)ccc1OCC(C)C
InChIInChI=1S/C23H28O7/c1-6-28-22-11-16(7-9-21(22)29-13-15(2)3)23(25)30-14-19(24)18-12-17(26-4)8-10-20(18)27-5/h7-12,15H,6,13-14H2,1-5H3
InChIKeyCSLADQDENSEEBC-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.18
Rot. Bonds11

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate (PubChem CID 7489220) has the molecular formula C23H28O7 and a molecular weight of 416.47 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
PubChem CID7489220
Molecular FormulaC23H28O7
Molecular Weight416.47 g/mol
Exact Mass416.18
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
SMILESCCOc1cc(C(=O)OCC(=O)c2cc(OC)ccc2OC)ccc1OCC(C)C
InChIInChI=1S/C23H28O7/c1-6-28-22-11-16(7-9-21(22)29-13-15(2)3)23(25)30-14-19(24)18-12-17(26-4)8-10-20(18)27-5/h7-12,15H,6,13-14H2,1-5H3
InChIKeyCSLADQDENSEEBC-UHFFFAOYSA-N
XLogP4.18
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501210
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 30786174
(2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 2535405
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 16503166
2-methylpropyl 3,4-diethoxybenzoate
CID 82186382
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 23988457
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811094
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7486965
[2-(carbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 2535390
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-butoxy-3-methoxybenzoate
CID 42970701
[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558601
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 8955385

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate (CID 7489220) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate is CCOc1cc(C(=O)OCC(=O)c2cc(OC)ccc2OC)ccc1OCC(C)C.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate?
The InChIKey is CSLADQDENSEEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O7/c1-6-28-22-11-16(7-9-21(22)29-13-15(2)3)23(25)30-14-19(24)18-12-17(26-4)8-10-20(18)27-5/h7-12,15H,6,13-14H2,1-5H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate has a molecular weight of 416.47 g/mol, XLogP of 4.18, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate is sourced from PubChem (CID 7489220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).