[bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate

C30H18Cl4O9 — CID 146494079

IUPAC[bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate
SMILESO=C(OC(OC(=O)c1ccc(Cl)cc1)OC(OC(=O)c1ccc(Cl)cc1)OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C30H18Cl4O9/c31-21-9-1-17(2-10-21)25(35)39-29(40-26(36)18-3-11-22(32)12-4-18)43-30(41-27(37)19-5-13-23(33)14-6-19)42-28(38)20-7-15-24(34)16-8-20/h1-16,29-30H
InChIKeyJEWNZBHAVYMLKC-UHFFFAOYSA-N
MW664.28 g/mol
LogP7.61
Rot. Bonds10

About [bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate

[bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate (PubChem CID 146494079) has the molecular formula C30H18Cl4O9 and a molecular weight of 664.28 g/mol. Its IUPAC name is [bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate
PubChem CID146494079
Molecular FormulaC30H18Cl4O9
Molecular Weight664.28 g/mol
Exact Mass661.97
IUPAC Name[bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate
SMILESO=C(OC(OC(=O)c1ccc(Cl)cc1)OC(OC(=O)c1ccc(Cl)cc1)OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C30H18Cl4O9/c31-21-9-1-17(2-10-21)25(35)39-29(40-26(36)18-3-11-22(32)12-4-18)43-30(41-27(37)19-5-13-23(33)14-6-19)42-28(38)20-7-15-24(34)16-8-20/h1-16,29-30H
InChIKeyJEWNZBHAVYMLKC-UHFFFAOYSA-N
XLogP7.61
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.28
LogP ≤ 57.61
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[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate 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

(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
CID 7179
[1,2-bis(4-chlorophenyl)-2-oxoethyl] 4-chlorobenzoate
CID 11362139
chloro 4-chlorobenzoate
CID 67325757
dimethylamino 4-chlorobenzoate
CID 134848983
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7889661
2-(4-chlorobenzoyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 129070567
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 16540210
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 2629299
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
(2-hydroxy-2-methylpropyl) 4-chlorobenzoate
CID 139815240
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833900

Frequently Asked Questions

What is the IUPAC name of [bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate?
The IUPAC name of [bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate (CID 146494079) is [bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate.
What is the SMILES notation for [bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate?
The canonical SMILES for [bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate is O=C(OC(OC(=O)c1ccc(Cl)cc1)OC(OC(=O)c1ccc(Cl)cc1)OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate?
The InChIKey is JEWNZBHAVYMLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18Cl4O9/c31-21-9-1-17(2-10-21)25(35)39-29(40-26(36)18-3-11-22(32)12-4-18)43-30(41-27(37)19-5-13-23(33)14-6-19)42-28(38)20-7-15-24(34)16-8-20/h1-16,29-30H.
What are the key properties of [bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate?
[bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate has a molecular weight of 664.28 g/mol, XLogP of 7.61, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate is sourced from PubChem (CID 146494079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).