4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene

C15H14ClNO5 — CID 7714405

IUPAC4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene
SMILESCOc1ccc(OCCOc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H14ClNO5/c1-20-12-3-5-13(6-4-12)21-8-9-22-15-7-2-11(16)10-14(15)17(18)19/h2-7,10H,8-9H2,1H3
InChIKeyJOFLWUZKZLFCGK-UHFFFAOYSA-N
MW323.73 g/mol
LogP3.71
Rot. Bonds7

About 4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene

4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene (PubChem CID 7714405) has the molecular formula C15H14ClNO5 and a molecular weight of 323.73 g/mol. Its IUPAC name is 4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene.

Molecular Properties

Compound Name4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene
PubChem CID7714405
Molecular FormulaC15H14ClNO5
Molecular Weight323.73 g/mol
Exact Mass323.06
IUPAC Name4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene
SMILESCOc1ccc(OCCOc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H14ClNO5/c1-20-12-3-5-13(6-4-12)21-8-9-22-15-7-2-11(16)10-14(15)17(18)19/h2-7,10H,8-9H2,1H3
InChIKeyJOFLWUZKZLFCGK-UHFFFAOYSA-N
XLogP3.71
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-1-[2-(4-methylphenoxy)ethoxy]-2-nitrobenzene
CID 55327751
3-(4-chloro-2-nitrophenoxy)propan-1-ol
CID 43509924
1-[12-[4-(4-methoxyphenyl)phenoxy]dodecoxy]-2,4-dinitrobenzene
CID 57220439
1-[2-(2,4-dichlorophenoxy)ethoxy]-4-methyl-2-nitrobenzene
CID 57398735
4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene
CID 78976905
4-chloro-2-nitro-1-pent-4-ynoxybenzene
CID 115870869
4-chloro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 78976835
3-[3-(4-chloro-2-nitrophenoxy)propoxy]benzonitrile
CID 112824321
3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine
CID 29015972
2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 31728423
4-chloro-1-(2-methylprop-2-enoxy)-2-nitrobenzene
CID 46850457
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene?
The IUPAC name of 4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene (CID 7714405) is 4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene.
What is the SMILES notation for 4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene?
The canonical SMILES for 4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene is COc1ccc(OCCOc2ccc(Cl)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene?
The InChIKey is JOFLWUZKZLFCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5/c1-20-12-3-5-13(6-4-12)21-8-9-22-15-7-2-11(16)10-14(15)17(18)19/h2-7,10H,8-9H2,1H3.
What are the key properties of 4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene?
4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene has a molecular weight of 323.73 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene is sourced from PubChem (CID 7714405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).