[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate

C19H20O6 — CID 9065160

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)OCC(=O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C19H20O6/c1-22-11-13-5-4-6-14(9-13)19(21)25-12-17(20)16-10-15(23-2)7-8-18(16)24-3/h4-10H,11-12H2,1-3H3
InChIKeyDNYYKNDYUFEZKA-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.89
Rot. Bonds8

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate (PubChem CID 9065160) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate
PubChem CID9065160
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)OCC(=O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C19H20O6/c1-22-11-13-5-4-6-14(9-13)19(21)25-12-17(20)16-10-15(23-2)7-8-18(16)24-3/h4-10H,11-12H2,1-3H3
InChIKeyDNYYKNDYUFEZKA-UHFFFAOYSA-N
XLogP2.89
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-cyanobenzoate
CID 7488457
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431484
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate
CID 2456748
2-oxopropyl 3-(methoxymethyl)benzoate
CID 55386027
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7628154
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
CID 2096696
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-methoxybenzoate
CID 16522195
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9064778
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 7489220
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
propyl 3-(methoxymethyl)benzoate
CID 78846700

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate (CID 9065160) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate is COCc1cccc(C(=O)OCC(=O)c2cc(OC)ccc2OC)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate?
The InChIKey is DNYYKNDYUFEZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-22-11-13-5-4-6-14(9-13)19(21)25-12-17(20)16-10-15(23-2)7-8-18(16)24-3/h4-10H,11-12H2,1-3H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate has a molecular weight of 344.36 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate is sourced from PubChem (CID 9065160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).