[bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate

C30H14Cl8O9 — CID 57177466

IUPAC[bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate
SMILESO=C(OC(OC(=O)c1ccc(Cl)cc1Cl)OC(OC(=O)c1ccc(Cl)cc1Cl)OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C30H14Cl8O9/c31-13-1-5-17(21(35)9-13)25(39)43-29(44-26(40)18-6-2-14(32)10-22(18)36)47-30(45-27(41)19-7-3-15(33)11-23(19)37)46-28(42)20-8-4-16(34)12-24(20)38/h1-12,29-30H
InChIKeyZTMJSXRJVQAQAH-UHFFFAOYSA-N
MW802.06 g/mol
LogP10.23
Rot. Bonds10

About [bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate

[bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate (PubChem CID 57177466) has the molecular formula C30H14Cl8O9 and a molecular weight of 802.06 g/mol. Its IUPAC name is [bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate
PubChem CID57177466
Molecular FormulaC30H14Cl8O9
Molecular Weight802.06 g/mol
Exact Mass797.81
IUPAC Name[bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate
SMILESO=C(OC(OC(=O)c1ccc(Cl)cc1Cl)OC(OC(=O)c1ccc(Cl)cc1Cl)OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C30H14Cl8O9/c31-13-1-5-17(21(35)9-13)25(39)43-29(44-26(40)18-6-2-14(32)10-22(18)36)47-30(45-27(41)19-7-3-15(33)11-23(19)37)46-28(42)20-8-4-16(34)12-24(20)38/h1-12,29-30H
InChIKeyZTMJSXRJVQAQAH-UHFFFAOYSA-N
XLogP10.23
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.06
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7508328
[bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate
CID 146494079
prop-1-en-2-yl 2,4-dichlorobenzoate
CID 89323884
[(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate
CID 989933
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dichlorobenzoate
CID 7873069
(3,4-dichlorophenyl) 2,4-dichlorobenzoate
CID 2805035
(4-chlorophenyl)methyl 2,4-dichlorobenzoate
CID 962047
1-(2,4-dichlorophenyl)(214C)ethanone
CID 10750217
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7862951
[(2S)-1-morpholin-4-ium-4-ylpropan-2-yl] 2,4-dichlorobenzoate
CID 6956935
[(2S,4Z)-1-bromo-4-methoxyimino-3-methylbutan-2-yl] 2,4-dichlorobenzoate
CID 172919351
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7508224

Frequently Asked Questions

What is the IUPAC name of [bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate?
The IUPAC name of [bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate (CID 57177466) is [bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate?
The canonical SMILES for [bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate is O=C(OC(OC(=O)c1ccc(Cl)cc1Cl)OC(OC(=O)c1ccc(Cl)cc1Cl)OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of [bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate?
The InChIKey is ZTMJSXRJVQAQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H14Cl8O9/c31-13-1-5-17(21(35)9-13)25(39)43-29(44-26(40)18-6-2-14(32)10-22(18)36)47-30(45-27(41)19-7-3-15(33)11-23(19)37)46-28(42)20-8-4-16(34)12-24(20)38/h1-12,29-30H.
What are the key properties of [bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate?
[bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate has a molecular weight of 802.06 g/mol, XLogP of 10.23, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 57177466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).