1-(2-nitroethoxy)naphthalene

C12H11NO3 — CID 1313716

IUPAC1-(2-nitroethoxy)naphthalene
SMILESO=[N+]([O-])CCOc1cccc2ccccc12
InChIInChI=1S/C12H11NO3/c14-13(15)8-9-16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2
InChIKeyHIPPASYKWOIHPL-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.50
Rot. Bonds4

About 1-(2-nitroethoxy)naphthalene

1-(2-nitroethoxy)naphthalene (PubChem CID 1313716) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(2-nitroethoxy)naphthalene.

Molecular Properties

Compound Name1-(2-nitroethoxy)naphthalene
PubChem CID1313716
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name1-(2-nitroethoxy)naphthalene
SMILESO=[N+]([O-])CCOc1cccc2ccccc12
InChIInChI=1S/C12H11NO3/c14-13(15)8-9-16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2
InChIKeyHIPPASYKWOIHPL-UHFFFAOYSA-N
XLogP2.50
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.50
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-(3-chloropropoxy)naphthalene
CID 12685615
1-butoxynaphthalene
CID 13262700
bis(2-naphthalen-1-yloxyethyl) carbonate
CID 57035339
1-(4-methylpentoxy)naphthalene
CID 83168126
N-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine
CID 11002610
2-naphthalen-1-yloxyethyl acetate
CID 23049663
1-(2-naphthalen-1-yloxyethyl)piperidin-4-one
CID 39368285
dichloro(3-naphthalen-1-yloxypropyl)silane
CID 131740391
N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide
CID 19174635
2-methyl-5-naphthalen-1-yloxypentanamide
CID 142457720
N'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide
CID 3267740
benzene;naphthalen-1-yloxymethanol
CID 70447137

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitroethoxy)naphthalene?
The IUPAC name of 1-(2-nitroethoxy)naphthalene (CID 1313716) is 1-(2-nitroethoxy)naphthalene.
What is the SMILES notation for 1-(2-nitroethoxy)naphthalene?
The canonical SMILES for 1-(2-nitroethoxy)naphthalene is O=[N+]([O-])CCOc1cccc2ccccc12.
What is the InChIKey of 1-(2-nitroethoxy)naphthalene?
The InChIKey is HIPPASYKWOIHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-13(15)8-9-16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2.
What are the key properties of 1-(2-nitroethoxy)naphthalene?
1-(2-nitroethoxy)naphthalene has a molecular weight of 217.22 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitroethoxy)naphthalene is sourced from PubChem (CID 1313716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).