[2-(2-chloro-3-phenoxyphenyl)acetyl]oxy 2-(2-chloro-3-phenoxyphenyl)ethaneperoxoate

C28H20Cl2O7 — CID 88828193

IUPAC[2-(2-chloro-3-phenoxyphenyl)acetyl]oxy 2-(2-chloro-3-phenoxyphenyl)ethaneperoxoate
SMILESO=C(Cc1cccc(Oc2ccccc2)c1Cl)OOOC(=O)Cc1cccc(Oc2ccccc2)c1Cl
InChIInChI=1S/C28H20Cl2O7/c29-27-19(9-7-15-23(27)33-21-11-3-1-4-12-21)17-25(31)35-37-36-26(32)18-20-10-8-16-24(28(20)30)34-22-13-5-2-6-14-22/h1-16H,17-18H2
InChIKeyXCYIJZLQKHJPRZ-UHFFFAOYSA-N
MW539.37 g/mol
LogP7.30
Rot. Bonds10

About [2-(2-chloro-3-phenoxyphenyl)acetyl]oxy 2-(2-chloro-3-phenoxyphenyl)ethaneperoxoate

[2-(2-chloro-3-phenoxyphenyl)acetyl]oxy 2-(2-chloro-3-phenoxyphenyl)ethaneperoxoate (PubChem CID 88828193) has the molecular formula C28H20Cl2O7 and a molecular weight of 539.37 g/mol. Its IUPAC name is [2-(2-chloro-3-phenoxyphenyl)acetyl]oxy 2-(2-chloro-3-phenoxyphenyl)ethaneperoxoate.

Molecular Properties

Compound Name[2-(2-chloro-3-phenoxyphenyl)acetyl]oxy 2-(2-chloro-3-phenoxyphenyl)ethaneperoxoate
PubChem CID88828193
Molecular FormulaC28H20Cl2O7
Molecular Weight539.37 g/mol
Exact Mass538.06
IUPAC Name[2-(2-chloro-3-phenoxyphenyl)acetyl]oxy 2-(2-chloro-3-phenoxyphenyl)ethaneperoxoate
SMILESO=C(Cc1cccc(Oc2ccccc2)c1Cl)OOOC(=O)Cc1cccc(Oc2ccccc2)c1Cl
InChIInChI=1S/C28H20Cl2O7/c29-27-19(9-7-15-23(27)33-21-11-3-1-4-12-21)17-25(31)35-37-36-26(32)18-20-10-8-16-24(28(20)30)34-22-13-5-2-6-14-22/h1-16H,17-18H2
InChIKeyXCYIJZLQKHJPRZ-UHFFFAOYSA-N
XLogP7.30
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.37
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-3-phenoxyphenyl)methanol
CID 157201139
CID 88829366
CID 88829366
amino 2-[2-(4-chlorophenoxy)phenyl]acetate
CID 66824654
2-chloro-1-fluoro-3-phenoxybenzene
CID 155282374
alumane;[2-(5-ethyl-2-fluoro-3-phenoxyphenyl)acetyl]oxy 2-(5-ethyl-2-fluoro-3-phenoxyphenyl)ethaneperoxoate
CID 173457066
4-O-(2,3-dichlorophenyl) 1-O-phenyl butanedioate
CID 91726923
3-[2-(4-chlorophenoxy)phenyl]propanoic acid
CID 2764439
(2-phenoxyphenyl)methyl 2-hydroxybenzoate
CID 7890581
1-chloro-2-methyl-3-phenoxybenzene
CID 54026510
(2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate
CID 7859032
2-chloro-6-phenoxybenzaldehyde
CID 18663602
1-(chloromethyl)-2-fluoro-3-phenoxybenzene
CID 141096763

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-3-phenoxyphenyl)acetyl]oxy 2-(2-chloro-3-phenoxyphenyl)ethaneperoxoate?
The IUPAC name of [2-(2-chloro-3-phenoxyphenyl)acetyl]oxy 2-(2-chloro-3-phenoxyphenyl)ethaneperoxoate (CID 88828193) is [2-(2-chloro-3-phenoxyphenyl)acetyl]oxy 2-(2-chloro-3-phenoxyphenyl)ethaneperoxoate.
What is the SMILES notation for [2-(2-chloro-3-phenoxyphenyl)acetyl]oxy 2-(2-chloro-3-phenoxyphenyl)ethaneperoxoate?
The canonical SMILES for [2-(2-chloro-3-phenoxyphenyl)acetyl]oxy 2-(2-chloro-3-phenoxyphenyl)ethaneperoxoate is O=C(Cc1cccc(Oc2ccccc2)c1Cl)OOOC(=O)Cc1cccc(Oc2ccccc2)c1Cl.
What is the InChIKey of [2-(2-chloro-3-phenoxyphenyl)acetyl]oxy 2-(2-chloro-3-phenoxyphenyl)ethaneperoxoate?
The InChIKey is XCYIJZLQKHJPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2O7/c29-27-19(9-7-15-23(27)33-21-11-3-1-4-12-21)17-25(31)35-37-36-26(32)18-20-10-8-16-24(28(20)30)34-22-13-5-2-6-14-22/h1-16H,17-18H2.
What are the key properties of [2-(2-chloro-3-phenoxyphenyl)acetyl]oxy 2-(2-chloro-3-phenoxyphenyl)ethaneperoxoate?
[2-(2-chloro-3-phenoxyphenyl)acetyl]oxy 2-(2-chloro-3-phenoxyphenyl)ethaneperoxoate has a molecular weight of 539.37 g/mol, XLogP of 7.30, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-3-phenoxyphenyl)acetyl]oxy 2-(2-chloro-3-phenoxyphenyl)ethaneperoxoate is sourced from PubChem (CID 88828193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).