[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate

C18H18O6 — CID 2510229

IUPAC[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H18O6/c1-21-14-7-4-12(5-8-14)18(20)24-11-15(19)13-6-9-16(22-2)17(10-13)23-3/h4-10H,11H2,1-3H3
InChIKeySJDPKJLZDPDOAN-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.75
Rot. Bonds7

About [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate (PubChem CID 2510229) has the molecular formula C18H18O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
PubChem CID2510229
Molecular FormulaC18H18O6
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Name[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H18O6/c1-21-14-7-4-12(5-8-14)18(20)24-11-15(19)13-6-9-16(22-2)17(10-13)23-3/h4-10H,11H2,1-3H3
InChIKeySJDPKJLZDPDOAN-UHFFFAOYSA-N
XLogP2.75
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678570
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612428
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2537878
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811094
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-cyanobenzoate
CID 2592323
[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991637
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
CID 18123440
[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 902766
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 7500735
[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2543120
(2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate
CID 16534890

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate (CID 2510229) is [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate?
The InChIKey is SJDPKJLZDPDOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O6/c1-21-14-7-4-12(5-8-14)18(20)24-11-15(19)13-6-9-16(22-2)17(10-13)23-3/h4-10H,11H2,1-3H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate?
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate has a molecular weight of 330.34 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate is sourced from PubChem (CID 2510229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).