1-chloro-2-(4-nitrophenoxy)benzene

C12H8ClNO3 — CID 16408

IUPAC1-chloro-2-(4-nitrophenoxy)benzene
SMILESO=[N+]([O-])c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C12H8ClNO3/c13-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)14(15)16/h1-8H
InChIKeyYRXPWHHZVCKCLN-UHFFFAOYSA-N
MW249.65 g/mol
LogP4.04
Rot. Bonds3

About 1-chloro-2-(4-nitrophenoxy)benzene

1-chloro-2-(4-nitrophenoxy)benzene (PubChem CID 16408) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is 1-chloro-2-(4-nitrophenoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-(4-nitrophenoxy)benzene
PubChem CID16408
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name1-chloro-2-(4-nitrophenoxy)benzene
SMILESO=[N+]([O-])c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C12H8ClNO3/c13-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)14(15)16/h1-8H
InChIKeyYRXPWHHZVCKCLN-UHFFFAOYSA-N
XLogP4.04
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(4-nitrophenoxy)benzene?
The IUPAC name of 1-chloro-2-(4-nitrophenoxy)benzene (CID 16408) is 1-chloro-2-(4-nitrophenoxy)benzene.
What is the SMILES notation for 1-chloro-2-(4-nitrophenoxy)benzene?
The canonical SMILES for 1-chloro-2-(4-nitrophenoxy)benzene is O=[N+]([O-])c1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-(4-nitrophenoxy)benzene?
The InChIKey is YRXPWHHZVCKCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)14(15)16/h1-8H.
What are the key properties of 1-chloro-2-(4-nitrophenoxy)benzene?
1-chloro-2-(4-nitrophenoxy)benzene has a molecular weight of 249.65 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4-nitrophenoxy)benzene is sourced from PubChem (CID 16408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).