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

C17H14Cl2O5 — CID 7864763

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C17H14Cl2O5/c1-22-11-4-5-12(16(8-11)23-2)15(20)9-24-17(21)10-3-6-13(18)14(19)7-10/h3-8H,9H2,1-2H3
InChIKeyONGNXNGKDJXNDV-UHFFFAOYSA-N
MW369.20 g/mol
LogP4.05
Rot. Bonds6

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

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate (PubChem CID 7864763) has the molecular formula C17H14Cl2O5 and a molecular weight of 369.20 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate
PubChem CID7864763
Molecular FormulaC17H14Cl2O5
Molecular Weight369.20 g/mol
Exact Mass368.02
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C17H14Cl2O5/c1-22-11-4-5-12(16(8-11)23-2)15(20)9-24-17(21)10-3-6-13(18)14(19)7-10/h3-8H,9H2,1-2H3
InChIKeyONGNXNGKDJXNDV-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-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501210
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-methylphenyl)benzoate
CID 23993413
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8657144
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133589
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate
CID 2520644
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-butoxy-3-methoxybenzoate
CID 42970701
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2637857
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2336407
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833977
(5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate
CID 17391291
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate
CID 2604638
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605537

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate (CID 7864763) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate is COc1ccc(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate?
The InChIKey is ONGNXNGKDJXNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O5/c1-22-11-4-5-12(16(8-11)23-2)15(20)9-24-17(21)10-3-6-13(18)14(19)7-10/h3-8H,9H2,1-2H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-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-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate is sourced from PubChem (CID 7864763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).