1-(4-nitrophenoxy)naphthalene

C16H11NO3 — CID 762479

IUPAC1-(4-nitrophenoxy)naphthalene
SMILESO=[N+]([O-])c1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C16H11NO3/c18-17(19)13-8-10-14(11-9-13)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
InChIKeySEGARSYGUBYPOK-UHFFFAOYSA-N
MW265.27 g/mol
LogP4.54
Rot. Bonds3

About 1-(4-nitrophenoxy)naphthalene

1-(4-nitrophenoxy)naphthalene (PubChem CID 762479) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-(4-nitrophenoxy)naphthalene.

Molecular Properties

Compound Name1-(4-nitrophenoxy)naphthalene
PubChem CID762479
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name1-(4-nitrophenoxy)naphthalene
SMILESO=[N+]([O-])c1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C16H11NO3/c18-17(19)13-8-10-14(11-9-13)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
InChIKeySEGARSYGUBYPOK-UHFFFAOYSA-N
XLogP4.54
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 54.54
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

p-Nitrophenyl o-tolyl ether
CID 17123
p-(Benzyloxy)nitrobenzene
CID 70842
Benzene, 1,1'-(1-methylethylidene)bis[4-(4-nitrophenoxy)-
CID 88635
Methyl 4-nitronaphthyl ether
CID 78613
(4-Nitronaphthalen-1-yl) acetate
CID 14082591
4-(Benzyloxy)-2-methyl-1-nitrobenzene
CID 257720
Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)-
CID 177573
1-[[4-(5-Fluoro-2,4-dinitrophenyl)phenyl]methoxy]naphthalene
CID 145980449
Benzonitrile, 2-(1-naphthalenyloxy)-5-nitro-
CID 514857
Naphthalen-1-yl 3-nitrobenzoate
CID 675655
4-(Benzyloxy)naphthalen-1-amine
CID 23120763
6-nitro-2-octyl-2H-chromene
CID 54581631

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenoxy)naphthalene?
The IUPAC name of 1-(4-nitrophenoxy)naphthalene (CID 762479) is 1-(4-nitrophenoxy)naphthalene.
What is the SMILES notation for 1-(4-nitrophenoxy)naphthalene?
The canonical SMILES for 1-(4-nitrophenoxy)naphthalene is O=[N+]([O-])c1ccc(Oc2cccc3ccccc23)cc1.
What is the InChIKey of 1-(4-nitrophenoxy)naphthalene?
The InChIKey is SEGARSYGUBYPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-17(19)13-8-10-14(11-9-13)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H.
What are the key properties of 1-(4-nitrophenoxy)naphthalene?
1-(4-nitrophenoxy)naphthalene has a molecular weight of 265.27 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenoxy)naphthalene is sourced from PubChem (CID 762479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).