[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate

C17H14Cl2O5 — CID 7887065

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H14Cl2O5/c1-22-11-4-6-16(23-2)13(8-11)15(20)9-24-17(21)12-5-3-10(18)7-14(12)19/h3-8H,9H2,1-2H3
InChIKeyPSTCUGWTQWJQAW-UHFFFAOYSA-N
MW369.20 g/mol
LogP4.05
Rot. Bonds6

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate (PubChem CID 7887065) has the molecular formula C17H14Cl2O5 and a molecular weight of 369.20 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate
PubChem CID7887065
Molecular FormulaC17H14Cl2O5
Molecular Weight369.20 g/mol
Exact Mass368.02
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H14Cl2O5/c1-22-11-4-6-16(23-2)13(8-11)15(20)9-24-17(21)12-5-3-10(18)7-14(12)19/h3-8H,9H2,1-2H3
InChIKeyPSTCUGWTQWJQAW-UHFFFAOYSA-N
XLogP4.05
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
CID 2096696
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 7875123
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7628154
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431484
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7628185
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7486908
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 30788136
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-chloro-2-nitrobenzoate
CID 2637744
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123261
[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate
CID 126187635
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate (CID 7887065) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate is COc1ccc(OC)c(C(=O)COC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate?
The InChIKey is PSTCUGWTQWJQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O5/c1-22-11-4-6-16(23-2)13(8-11)15(20)9-24-17(21)12-5-3-10(18)7-14(12)19/h3-8H,9H2,1-2H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate has a molecular weight of 369.20 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 7887065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).