6-(3-chlorophenyl)-1,4-oxazepane

C11H14ClNO — CID 82284235

IUPAC6-(3-chlorophenyl)-1,4-oxazepane
SMILESClc1cccc(C2CNCCOC2)c1
InChIInChI=1S/C11H14ClNO/c12-11-3-1-2-9(6-11)10-7-13-4-5-14-8-10/h1-3,6,10,13H,4-5,7-8H2
InChIKeyPYHPYRPAVOTUTM-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.04
Rot. Bonds1

About 6-(3-chlorophenyl)-1,4-oxazepane

6-(3-chlorophenyl)-1,4-oxazepane (PubChem CID 82284235) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-1,4-oxazepane.

Molecular Properties

Compound Name6-(3-chlorophenyl)-1,4-oxazepane
PubChem CID82284235
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name6-(3-chlorophenyl)-1,4-oxazepane
SMILESClc1cccc(C2CNCCOC2)c1
InChIInChI=1S/C11H14ClNO/c12-11-3-1-2-9(6-11)10-7-13-4-5-14-8-10/h1-3,6,10,13H,4-5,7-8H2
InChIKeyPYHPYRPAVOTUTM-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-1,4-oxazepane?
The IUPAC name of 6-(3-chlorophenyl)-1,4-oxazepane (CID 82284235) is 6-(3-chlorophenyl)-1,4-oxazepane.
What is the SMILES notation for 6-(3-chlorophenyl)-1,4-oxazepane?
The canonical SMILES for 6-(3-chlorophenyl)-1,4-oxazepane is Clc1cccc(C2CNCCOC2)c1.
What is the InChIKey of 6-(3-chlorophenyl)-1,4-oxazepane?
The InChIKey is PYHPYRPAVOTUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-11-3-1-2-9(6-11)10-7-13-4-5-14-8-10/h1-3,6,10,13H,4-5,7-8H2.
What are the key properties of 6-(3-chlorophenyl)-1,4-oxazepane?
6-(3-chlorophenyl)-1,4-oxazepane has a molecular weight of 211.69 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-1,4-oxazepane is sourced from PubChem (CID 82284235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).