2,4-dichloro-1-[1-(4-nitrophenoxy)cyclopentyl]benzene

C17H15Cl2NO3 — CID 118455918

IUPAC2,4-dichloro-1-[1-(4-nitrophenoxy)cyclopentyl]benzene
SMILESO=[N+]([O-])c1ccc(OC2(c3ccc(Cl)cc3Cl)CCCC2)cc1
InChIInChI=1S/C17H15Cl2NO3/c18-12-3-8-15(16(19)11-12)17(9-1-2-10-17)23-14-6-4-13(5-7-14)20(21)22/h3-8,11H,1-2,9-10H2
InChIKeyPDJJSHYKDDAXHE-UHFFFAOYSA-N
MW352.22 g/mol
LogP5.75
Rot. Bonds4

About 2,4-dichloro-1-[1-(4-nitrophenoxy)cyclopentyl]benzene

2,4-dichloro-1-[1-(4-nitrophenoxy)cyclopentyl]benzene (PubChem CID 118455918) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is 2,4-dichloro-1-[1-(4-nitrophenoxy)cyclopentyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[1-(4-nitrophenoxy)cyclopentyl]benzene
PubChem CID118455918
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name2,4-dichloro-1-[1-(4-nitrophenoxy)cyclopentyl]benzene
SMILESO=[N+]([O-])c1ccc(OC2(c3ccc(Cl)cc3Cl)CCCC2)cc1
InChIInChI=1S/C17H15Cl2NO3/c18-12-3-8-15(16(19)11-12)17(9-1-2-10-17)23-14-6-4-13(5-7-14)20(21)22/h3-8,11H,1-2,9-10H2
InChIKeyPDJJSHYKDDAXHE-UHFFFAOYSA-N
XLogP5.75
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.22
LogP ≤ 55.75
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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Related Compounds

2,4-dichloro-1-[1-(4-nitrophenoxy)cyclohexyl]benzene
CID 118456146
3-(2,4-dichlorophenyl)-3-(2-fluoro-4-nitrophenoxy)oxetane
CID 118455905
3,5-dichloro-2-[4-(4-nitrophenoxy)oxan-4-yl]pyridine
CID 126720345
4-[4-(2,4-dichlorophenyl)oxan-4-yl]oxyaniline
CID 118456213
N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)methanimine
CID 690794
8a-(4-nitrophenoxy)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 12787828
2,4-dichloro-1-(4-nitrophenyl)sulfanylbenzene
CID 91876619
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
CID 70381437
CID 70381437
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
1-chloro-3-(4-nitrophenoxy)benzene
CID 16815
4-chloro-2-(4-nitrophenoxy)benzonitrile
CID 63092063

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[1-(4-nitrophenoxy)cyclopentyl]benzene?
The IUPAC name of 2,4-dichloro-1-[1-(4-nitrophenoxy)cyclopentyl]benzene (CID 118455918) is 2,4-dichloro-1-[1-(4-nitrophenoxy)cyclopentyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[1-(4-nitrophenoxy)cyclopentyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[1-(4-nitrophenoxy)cyclopentyl]benzene is O=[N+]([O-])c1ccc(OC2(c3ccc(Cl)cc3Cl)CCCC2)cc1.
What is the InChIKey of 2,4-dichloro-1-[1-(4-nitrophenoxy)cyclopentyl]benzene?
The InChIKey is PDJJSHYKDDAXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c18-12-3-8-15(16(19)11-12)17(9-1-2-10-17)23-14-6-4-13(5-7-14)20(21)22/h3-8,11H,1-2,9-10H2.
What are the key properties of 2,4-dichloro-1-[1-(4-nitrophenoxy)cyclopentyl]benzene?
2,4-dichloro-1-[1-(4-nitrophenoxy)cyclopentyl]benzene has a molecular weight of 352.22 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[1-(4-nitrophenoxy)cyclopentyl]benzene is sourced from PubChem (CID 118455918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).