7-(3,4-dichlorophenyl)-6-(phenoxymethyl)-1,4-oxazepane

C18H19Cl2NO2 — CID 67123313

IUPAC7-(3,4-dichlorophenyl)-6-(phenoxymethyl)-1,4-oxazepane
SMILESClc1ccc(C2OCCNCC2COc2ccccc2)cc1Cl
InChIInChI=1S/C18H19Cl2NO2/c19-16-7-6-13(10-17(16)20)18-14(11-21-8-9-22-18)12-23-15-4-2-1-3-5-15/h1-7,10,14,18,21H,8-9,11-12H2
InChIKeyIYSCBTVODLQDQC-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.35
Rot. Bonds4

About 7-(3,4-dichlorophenyl)-6-(phenoxymethyl)-1,4-oxazepane

7-(3,4-dichlorophenyl)-6-(phenoxymethyl)-1,4-oxazepane (PubChem CID 67123313) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-6-(phenoxymethyl)-1,4-oxazepane.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-6-(phenoxymethyl)-1,4-oxazepane
PubChem CID67123313
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name7-(3,4-dichlorophenyl)-6-(phenoxymethyl)-1,4-oxazepane
SMILESClc1ccc(C2OCCNCC2COc2ccccc2)cc1Cl
InChIInChI=1S/C18H19Cl2NO2/c19-16-7-6-13(10-17(16)20)18-14(11-21-8-9-22-18)12-23-15-4-2-1-3-5-15/h1-7,10,14,18,21H,8-9,11-12H2
InChIKeyIYSCBTVODLQDQC-UHFFFAOYSA-N
XLogP4.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-6-(phenoxymethyl)-1,4-oxazepane?
The IUPAC name of 7-(3,4-dichlorophenyl)-6-(phenoxymethyl)-1,4-oxazepane (CID 67123313) is 7-(3,4-dichlorophenyl)-6-(phenoxymethyl)-1,4-oxazepane.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-6-(phenoxymethyl)-1,4-oxazepane?
The canonical SMILES for 7-(3,4-dichlorophenyl)-6-(phenoxymethyl)-1,4-oxazepane is Clc1ccc(C2OCCNCC2COc2ccccc2)cc1Cl.
What is the InChIKey of 7-(3,4-dichlorophenyl)-6-(phenoxymethyl)-1,4-oxazepane?
The InChIKey is IYSCBTVODLQDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c19-16-7-6-13(10-17(16)20)18-14(11-21-8-9-22-18)12-23-15-4-2-1-3-5-15/h1-7,10,14,18,21H,8-9,11-12H2.
What are the key properties of 7-(3,4-dichlorophenyl)-6-(phenoxymethyl)-1,4-oxazepane?
7-(3,4-dichlorophenyl)-6-(phenoxymethyl)-1,4-oxazepane has a molecular weight of 352.26 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-6-(phenoxymethyl)-1,4-oxazepane is sourced from PubChem (CID 67123313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).