1-methoxy-2-nitronaphthalene

C11H9NO3 — CID 10899709

IUPAC1-methoxy-2-nitronaphthalene
SMILESCOc1c([N+](=O)[O-])ccc2ccccc12
InChIInChI=1S/C11H9NO3/c1-15-11-9-5-3-2-4-8(9)6-7-10(11)12(13)14/h2-7H,1H3
InChIKeyMADSSDZXBDQMAF-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.76
Rot. Bonds2

About 1-methoxy-2-nitronaphthalene

1-methoxy-2-nitronaphthalene (PubChem CID 10899709) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-methoxy-2-nitronaphthalene.

Molecular Properties

Compound Name1-methoxy-2-nitronaphthalene
PubChem CID10899709
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name1-methoxy-2-nitronaphthalene
SMILESCOc1c([N+](=O)[O-])ccc2ccccc12
InChIInChI=1S/C11H9NO3/c1-15-11-9-5-3-2-4-8(9)6-7-10(11)12(13)14/h2-7H,1H3
InChIKeyMADSSDZXBDQMAF-UHFFFAOYSA-N
XLogP2.76
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.76
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-ethoxy-2-nitronaphthalene
CID 15811705
O-(2-nitronaphthalen-1-yl) ethanethioate
CID 57090409
1-nitronaphthalene;hydrate
CID 174470741
(2-nitronaphthalen-1-yl) trifluoromethanesulfonate
CID 87601886
2-methoxy-1,3,4-trinitrobenzene
CID 13213780
2-nitro-1-(2-nitronaphthalen-1-yl)sulfanylnaphthalene
CID 172732341
1-methoxy-2-(2-nitroethenyl)naphthalene
CID 171137628
formonitrile;1-nitronaphthalene
CID 174387830
(2-nitronaphthalene-1-carbonyl) 2-nitronaphthalene-1-carboxylate
CID 87755782
azanylidyneazanium;1-nitronaphthalene;chloride
CID 23454944
4-nitrophenanthrene
CID 139058403
1,1'-biphenyl;1-nitronaphthalene
CID 174805071

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-nitronaphthalene?
The IUPAC name of 1-methoxy-2-nitronaphthalene (CID 10899709) is 1-methoxy-2-nitronaphthalene.
What is the SMILES notation for 1-methoxy-2-nitronaphthalene?
The canonical SMILES for 1-methoxy-2-nitronaphthalene is COc1c([N+](=O)[O-])ccc2ccccc12.
What is the InChIKey of 1-methoxy-2-nitronaphthalene?
The InChIKey is MADSSDZXBDQMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-15-11-9-5-3-2-4-8(9)6-7-10(11)12(13)14/h2-7H,1H3.
What are the key properties of 1-methoxy-2-nitronaphthalene?
1-methoxy-2-nitronaphthalene has a molecular weight of 203.20 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-nitronaphthalene is sourced from PubChem (CID 10899709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).