1-ethoxy-2-nitronaphthalene

C12H11NO3 — CID 15811705

IUPAC1-ethoxy-2-nitronaphthalene
SMILESCCOc1c([N+](=O)[O-])ccc2ccccc12
InChIInChI=1S/C12H11NO3/c1-2-16-12-10-6-4-3-5-9(10)7-8-11(12)13(14)15/h3-8H,2H2,1H3
InChIKeyKATQKOWWJWPQET-UHFFFAOYSA-N
MW217.22 g/mol
LogP3.15
Rot. Bonds3

About 1-ethoxy-2-nitronaphthalene

1-ethoxy-2-nitronaphthalene (PubChem CID 15811705) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-ethoxy-2-nitronaphthalene.

Molecular Properties

Compound Name1-ethoxy-2-nitronaphthalene
PubChem CID15811705
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name1-ethoxy-2-nitronaphthalene
SMILESCCOc1c([N+](=O)[O-])ccc2ccccc12
InChIInChI=1S/C12H11NO3/c1-2-16-12-10-6-4-3-5-9(10)7-8-11(12)13(14)15/h3-8H,2H2,1H3
InChIKeyKATQKOWWJWPQET-UHFFFAOYSA-N
XLogP3.15
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 53.15
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

1-methoxy-2-nitronaphthalene
CID 10899709
O-(2-nitronaphthalen-1-yl) ethanethioate
CID 57090409
1-nitronaphthalene;hydrate
CID 174470741
1-(2-ethoxy-3-nitrophenyl)propan-2-one
CID 118824526
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethoxy-2-nitrobenzene
CID 175518367
(2-nitronaphthalen-1-yl) trifluoromethanesulfonate
CID 87601886
chrysene;6-nitrochrysene
CID 161186476
2-nitro-1-(2-nitronaphthalen-1-yl)sulfanylnaphthalene
CID 172732341
formonitrile;1-nitronaphthalene
CID 174387830
methane;6-nitrochrysene
CID 87770303
(2,3-diethoxy-4-nitrophenyl)-(trihydroxy-λ5-phosphanylidene)sulfanium
CID 172785171
(2-nitronaphthalene-1-carbonyl) 2-nitronaphthalene-1-carboxylate
CID 87755782

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-nitronaphthalene?
The IUPAC name of 1-ethoxy-2-nitronaphthalene (CID 15811705) is 1-ethoxy-2-nitronaphthalene.
What is the SMILES notation for 1-ethoxy-2-nitronaphthalene?
The canonical SMILES for 1-ethoxy-2-nitronaphthalene is CCOc1c([N+](=O)[O-])ccc2ccccc12.
What is the InChIKey of 1-ethoxy-2-nitronaphthalene?
The InChIKey is KATQKOWWJWPQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-16-12-10-6-4-3-5-9(10)7-8-11(12)13(14)15/h3-8H,2H2,1H3.
What are the key properties of 1-ethoxy-2-nitronaphthalene?
1-ethoxy-2-nitronaphthalene has a molecular weight of 217.22 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-nitronaphthalene is sourced from PubChem (CID 15811705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).