[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate

C23H18Cl2O5 — CID 23822412

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H18Cl2O5/c1-28-18-10-7-15(8-11-18)21(26)14-30-23(27)19-4-2-3-5-22(19)29-13-16-6-9-17(24)12-20(16)25/h2-12H,13-14H2,1H3
InChIKeyDBNONGPBDNUCJT-UHFFFAOYSA-N
MW445.30 g/mol
LogP5.62
Rot. Bonds8

About [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate

[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate (PubChem CID 23822412) has the molecular formula C23H18Cl2O5 and a molecular weight of 445.30 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
PubChem CID23822412
Molecular FormulaC23H18Cl2O5
Molecular Weight445.30 g/mol
Exact Mass444.05
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H18Cl2O5/c1-28-18-10-7-15(8-11-18)21(26)14-30-23(27)19-4-2-3-5-22(19)29-13-16-6-9-17(24)12-20(16)25/h2-12H,13-14H2,1H3
InChIKeyDBNONGPBDNUCJT-UHFFFAOYSA-N
XLogP5.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.30
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate with MolForge

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2358793
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 23904435
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
CID 2594087
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
CID 2367031
1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78906437
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7626940
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
(2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126186183
phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2454304
(2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate
CID 7291387
[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate
CID 587174
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 31409809

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate (CID 23822412) is [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate is COc1ccc(C(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate?
The InChIKey is DBNONGPBDNUCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2O5/c1-28-18-10-7-15(8-11-18)21(26)14-30-23(27)19-4-2-3-5-22(19)29-13-16-6-9-17(24)12-20(16)25/h2-12H,13-14H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate?
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate has a molecular weight of 445.30 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate is sourced from PubChem (CID 23822412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).