2-methoxy-6-(4-nitrophenyl)naphthalene

C17H13NO3 — CID 624303

IUPAC2-methoxy-6-(4-nitrophenyl)naphthalene
SMILESCOc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2c1
InChIInChI=1S/C17H13NO3/c1-21-17-9-6-14-10-13(2-3-15(14)11-17)12-4-7-16(8-5-12)18(19)20/h2-11H,1H3
InChIKeyXSENFILLHWBOKZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP4.42
Rot. Bonds3

About 2-methoxy-6-(4-nitrophenyl)naphthalene

2-methoxy-6-(4-nitrophenyl)naphthalene (PubChem CID 624303) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-methoxy-6-(4-nitrophenyl)naphthalene.

Molecular Properties

Compound Name2-methoxy-6-(4-nitrophenyl)naphthalene
PubChem CID624303
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-methoxy-6-(4-nitrophenyl)naphthalene
SMILESCOc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2c1
InChIInChI=1S/C17H13NO3/c1-21-17-9-6-14-10-13(2-3-15(14)11-17)12-4-7-16(8-5-12)18(19)20/h2-11H,1H3
InChIKeyXSENFILLHWBOKZ-UHFFFAOYSA-N
XLogP4.42
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 54.42
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

2-amino-4-(3-nitrophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 3114320
Methyl 4-nitronaphthyl ether
CID 78613
4H-Naphtho[1,2-b]pyran-3-carbonitrile, 2-amino-4-(4-nitrophenyl)-
CID 2840684
(E)-3-Methoxy-4'-nitrostilbene
CID 6440430
2-(4-Nitro-benzyl)-naphthalen-1-ol
CID 44347691
(1E)-6-methoxy-1-[(4-nitrophenyl)methylidene]-3,4-dihydronaphthalen-2-one
CID 60165499
4-Methoxy-4'-nitrobiphenyl
CID 11128079
Benzene, 1-((2-(4-nitrophenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067149
Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-7-methoxy-1,1,4a-trimethyl-8-(1-methylethyl)-6-nitro-, (4aS,10aS)-
CID 484411
3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 3115885
3-amino-1-(4-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 3560659
2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene
CID 11381187

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(4-nitrophenyl)naphthalene?
The IUPAC name of 2-methoxy-6-(4-nitrophenyl)naphthalene (CID 624303) is 2-methoxy-6-(4-nitrophenyl)naphthalene.
What is the SMILES notation for 2-methoxy-6-(4-nitrophenyl)naphthalene?
The canonical SMILES for 2-methoxy-6-(4-nitrophenyl)naphthalene is COc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2c1.
What is the InChIKey of 2-methoxy-6-(4-nitrophenyl)naphthalene?
The InChIKey is XSENFILLHWBOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-17-9-6-14-10-13(2-3-15(14)11-17)12-4-7-16(8-5-12)18(19)20/h2-11H,1H3.
What are the key properties of 2-methoxy-6-(4-nitrophenyl)naphthalene?
2-methoxy-6-(4-nitrophenyl)naphthalene has a molecular weight of 279.30 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(4-nitrophenyl)naphthalene is sourced from PubChem (CID 624303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).