1-iodo-2-(2-nitrophenoxy)naphthalene

C16H10INO3 — CID 71623706

IUPAC1-iodo-2-(2-nitrophenoxy)naphthalene
SMILESO=[N+]([O-])c1ccccc1Oc1ccc2ccccc2c1I
InChIInChI=1S/C16H10INO3/c17-16-12-6-2-1-5-11(12)9-10-15(16)21-14-8-4-3-7-13(14)18(19)20/h1-10H
InChIKeyXXIQNIMRBFZPDU-UHFFFAOYSA-N
MW391.16 g/mol
LogP5.14
Rot. Bonds3

About 1-iodo-2-(2-nitrophenoxy)naphthalene

1-iodo-2-(2-nitrophenoxy)naphthalene (PubChem CID 71623706) has the molecular formula C16H10INO3 and a molecular weight of 391.16 g/mol. Its IUPAC name is 1-iodo-2-(2-nitrophenoxy)naphthalene.

Molecular Properties

Compound Name1-iodo-2-(2-nitrophenoxy)naphthalene
PubChem CID71623706
Molecular FormulaC16H10INO3
Molecular Weight391.16 g/mol
Exact Mass390.97
IUPAC Name1-iodo-2-(2-nitrophenoxy)naphthalene
SMILESO=[N+]([O-])c1ccccc1Oc1ccc2ccccc2c1I
InChIInChI=1S/C16H10INO3/c17-16-12-6-2-1-5-11(12)9-10-15(16)21-14-8-4-3-7-13(14)18(19)20/h1-10H
InChIKeyXXIQNIMRBFZPDU-UHFFFAOYSA-N
XLogP5.14
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.16
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
[2-(2-nitrophenoxy)phenyl]methanol
CID 54915252
2,3-bis[(4-nitronaphthalen-1-yl)oxy]anthracene
CID 170552339
ethane;1-methyl-2-(2-nitrophenoxy)benzene
CID 90780994
1-nitronaphthalene;hydrate
CID 174470741
4-nitrophenanthrene
CID 139058403
(4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone
CID 1336772
1-(2-nitrophenoxy)-2-propylbenzene
CID 38113680
2-(2-nitrophenoxy)benzoic acid
CID 19922477
1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene
CID 131855225
1-(2,5-dimethyl-4-nitrophenoxy)naphthalene
CID 66594066
2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene
CID 9112165

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-(2-nitrophenoxy)naphthalene?
The IUPAC name of 1-iodo-2-(2-nitrophenoxy)naphthalene (CID 71623706) is 1-iodo-2-(2-nitrophenoxy)naphthalene.
What is the SMILES notation for 1-iodo-2-(2-nitrophenoxy)naphthalene?
The canonical SMILES for 1-iodo-2-(2-nitrophenoxy)naphthalene is O=[N+]([O-])c1ccccc1Oc1ccc2ccccc2c1I.
What is the InChIKey of 1-iodo-2-(2-nitrophenoxy)naphthalene?
The InChIKey is XXIQNIMRBFZPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10INO3/c17-16-12-6-2-1-5-11(12)9-10-15(16)21-14-8-4-3-7-13(14)18(19)20/h1-10H.
What are the key properties of 1-iodo-2-(2-nitrophenoxy)naphthalene?
1-iodo-2-(2-nitrophenoxy)naphthalene has a molecular weight of 391.16 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(2-nitrophenoxy)naphthalene is sourced from PubChem (CID 71623706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).