azane;1-chloro-2-phenoxybenzene

C12H12ClNO — CID 68980819

IUPACazane;1-chloro-2-phenoxybenzene
SMILESClc1ccccc1Oc1ccccc1.N
InChIInChI=1S/C12H9ClO.H3N/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;/h1-9H;1H3
InChIKeyJZAIYCUXUJGFLG-UHFFFAOYSA-N
MW221.69 g/mol
LogP4.29
Rot. Bonds2

About azane;1-chloro-2-phenoxybenzene

azane;1-chloro-2-phenoxybenzene (PubChem CID 68980819) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is azane;1-chloro-2-phenoxybenzene.

Molecular Properties

Compound Nameazane;1-chloro-2-phenoxybenzene
PubChem CID68980819
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Nameazane;1-chloro-2-phenoxybenzene
SMILESClc1ccccc1Oc1ccccc1.N
InChIInChI=1S/C12H9ClO.H3N/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;/h1-9H;1H3
InChIKeyJZAIYCUXUJGFLG-UHFFFAOYSA-N
XLogP4.29
TPSA44.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-(2-chlorophenoxy)benzene
CID 21454528
1-chloro-2-methyl-3-phenoxybenzene
CID 54026510
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
1-chloro-2-(4-methylsulfanylphenoxy)benzene
CID 141024023
[4-(2-chlorophenoxy)phenyl]methanamine
CID 5152206
2-chloro-6-phenoxybenzaldehyde
CID 18663602
5-(2-chlorophenoxy)pyrimidine
CID 117231306
2-[4-(2-chlorophenoxy)phenyl]ethanamine
CID 20993672
1,2,3,4-tetrachloro-5-phenoxybenzene
CID 23274708
3-(2-chlorophenoxy)benzonitrile
CID 22148146
1,3-diphenoxy-2-phenylbenzene
CID 88611434
2-[4-(2-chlorophenoxy)phenyl]furan
CID 168528835

Frequently Asked Questions

What is the IUPAC name of azane;1-chloro-2-phenoxybenzene?
The IUPAC name of azane;1-chloro-2-phenoxybenzene (CID 68980819) is azane;1-chloro-2-phenoxybenzene.
What is the SMILES notation for azane;1-chloro-2-phenoxybenzene?
The canonical SMILES for azane;1-chloro-2-phenoxybenzene is Clc1ccccc1Oc1ccccc1.N.
What is the InChIKey of azane;1-chloro-2-phenoxybenzene?
The InChIKey is JZAIYCUXUJGFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO.H3N/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;/h1-9H;1H3.
What are the key properties of azane;1-chloro-2-phenoxybenzene?
azane;1-chloro-2-phenoxybenzene has a molecular weight of 221.69 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-chloro-2-phenoxybenzene is sourced from PubChem (CID 68980819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).