1-(5-chloropentoxy)-4-nitronaphthalene

C15H16ClNO3 — CID 63690144

IUPAC1-(5-chloropentoxy)-4-nitronaphthalene
SMILESO=[N+]([O-])c1ccc(OCCCCCCl)c2ccccc12
InChIInChI=1S/C15H16ClNO3/c16-10-4-1-5-11-20-15-9-8-14(17(18)19)12-6-2-3-7-13(12)15/h2-3,6-9H,1,4-5,10-11H2
InChIKeyRJKIEYAIAAMISC-UHFFFAOYSA-N
MW293.75 g/mol
LogP4.54
Rot. Bonds7

About 1-(5-chloropentoxy)-4-nitronaphthalene

1-(5-chloropentoxy)-4-nitronaphthalene (PubChem CID 63690144) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 1-(5-chloropentoxy)-4-nitronaphthalene.

Molecular Properties

Compound Name1-(5-chloropentoxy)-4-nitronaphthalene
PubChem CID63690144
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name1-(5-chloropentoxy)-4-nitronaphthalene
SMILESO=[N+]([O-])c1ccc(OCCCCCCl)c2ccccc12
InChIInChI=1S/C15H16ClNO3/c16-10-4-1-5-11-20-15-9-8-14(17(18)19)12-6-2-3-7-13(12)15/h2-3,6-9H,1,4-5,10-11H2
InChIKeyRJKIEYAIAAMISC-UHFFFAOYSA-N
XLogP4.54
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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

1-(3-chloropropoxy)-4-nitronaphthalene
CID 63690142
6-(4-nitronaphthalen-1-yl)oxyhexan-2-one
CID 63691549
4-(4-nitronaphthalen-1-yl)oxybutanoic acid
CID 63690121
3-(4-nitronaphthalen-1-yl)oxypropanenitrile
CID 63690149
N-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine
CID 63691870
2-(4-nitronaphthalen-1-yl)oxyacetamide
CID 55225970
8-(2-chloroethoxy)-5-nitroquinoline
CID 60863321
ethane;1-(4-nitronaphthalen-1-yl)oxypropan-2-one
CID 143171180
4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine
CID 11991204
11-(2-nitrophenoxy)undecan-1-amine
CID 25180908
1-[8-[bis(chloromethyl)phosphoryl]octoxy]-2-nitrobenzene
CID 10810731
(E)-4-(4-nitronaphthalen-1-yl)oxybut-2-enoic acid
CID 63690278

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentoxy)-4-nitronaphthalene?
The IUPAC name of 1-(5-chloropentoxy)-4-nitronaphthalene (CID 63690144) is 1-(5-chloropentoxy)-4-nitronaphthalene.
What is the SMILES notation for 1-(5-chloropentoxy)-4-nitronaphthalene?
The canonical SMILES for 1-(5-chloropentoxy)-4-nitronaphthalene is O=[N+]([O-])c1ccc(OCCCCCCl)c2ccccc12.
What is the InChIKey of 1-(5-chloropentoxy)-4-nitronaphthalene?
The InChIKey is RJKIEYAIAAMISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c16-10-4-1-5-11-20-15-9-8-14(17(18)19)12-6-2-3-7-13(12)15/h2-3,6-9H,1,4-5,10-11H2.
What are the key properties of 1-(5-chloropentoxy)-4-nitronaphthalene?
1-(5-chloropentoxy)-4-nitronaphthalene has a molecular weight of 293.75 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentoxy)-4-nitronaphthalene is sourced from PubChem (CID 63690144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).