2-[(Z)-2-(4-methoxy-3,5-dinitrophenyl)ethenyl]naphthalene

C19H14N2O5 — CID 11210278

IUPAC2-[(Z)-2-(4-methoxy-3,5-dinitrophenyl)ethenyl]naphthalene
SMILESCOc1c([N+](=O)[O-])cc(/C=C\c2ccc3ccccc3c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H14N2O5/c1-26-19-17(20(22)23)11-14(12-18(19)21(24)25)7-6-13-8-9-15-4-2-3-5-16(15)10-13/h2-12H,1H3/b7-6-
InChIKeyBLHQCCBDGWGFJW-SREVYHEPSA-N
MW350.33 g/mol
LogP4.84
Rot. Bonds5

About 2-[(Z)-2-(4-methoxy-3,5-dinitrophenyl)ethenyl]naphthalene

2-[(Z)-2-(4-methoxy-3,5-dinitrophenyl)ethenyl]naphthalene (PubChem CID 11210278) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-[(Z)-2-(4-methoxy-3,5-dinitrophenyl)ethenyl]naphthalene.

Molecular Properties

Compound Name2-[(Z)-2-(4-methoxy-3,5-dinitrophenyl)ethenyl]naphthalene
PubChem CID11210278
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Name2-[(Z)-2-(4-methoxy-3,5-dinitrophenyl)ethenyl]naphthalene
SMILESCOc1c([N+](=O)[O-])cc(/C=C\c2ccc3ccccc3c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H14N2O5/c1-26-19-17(20(22)23)11-14(12-18(19)21(24)25)7-6-13-8-9-15-4-2-3-5-16(15)10-13/h2-12H,1H3/b7-6-
InChIKeyBLHQCCBDGWGFJW-SREVYHEPSA-N
XLogP4.84
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-2-(3,4-Dimethoxy-5-nitro-phenyl)-vinyl]-naphthalene
CID 11151810
2-methoxy-5-[(Z)-2-naphthalen-2-ylethenyl]aniline
CID 11173418
2-amino-4-(4-methoxy-3-nitrophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 168272438
4-Methoxy-3,5-dinitrotoluene
CID 259649
2-[(E)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]naphthalene
CID 11290586
2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline
CID 11369394
2-methoxy-5-[(Z)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine
CID 11380731
2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene
CID 11381187
2-[(E)-2-(4-methoxy-3,5-dinitrophenyl)ethenyl]naphthalene
CID 11245030
2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine
CID 11460480
2-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene
CID 11771165
2-Methoxy-6-(4-nitro-phenyl)-naphthalene
CID 624303

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(4-methoxy-3,5-dinitrophenyl)ethenyl]naphthalene?
The IUPAC name of 2-[(Z)-2-(4-methoxy-3,5-dinitrophenyl)ethenyl]naphthalene (CID 11210278) is 2-[(Z)-2-(4-methoxy-3,5-dinitrophenyl)ethenyl]naphthalene.
What is the SMILES notation for 2-[(Z)-2-(4-methoxy-3,5-dinitrophenyl)ethenyl]naphthalene?
The canonical SMILES for 2-[(Z)-2-(4-methoxy-3,5-dinitrophenyl)ethenyl]naphthalene is COc1c([N+](=O)[O-])cc(/C=C\c2ccc3ccccc3c2)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(Z)-2-(4-methoxy-3,5-dinitrophenyl)ethenyl]naphthalene?
The InChIKey is BLHQCCBDGWGFJW-SREVYHEPSA-N. The full InChI is InChI=1S/C19H14N2O5/c1-26-19-17(20(22)23)11-14(12-18(19)21(24)25)7-6-13-8-9-15-4-2-3-5-16(15)10-13/h2-12H,1H3/b7-6-.
What are the key properties of 2-[(Z)-2-(4-methoxy-3,5-dinitrophenyl)ethenyl]naphthalene?
2-[(Z)-2-(4-methoxy-3,5-dinitrophenyl)ethenyl]naphthalene has a molecular weight of 350.33 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(4-methoxy-3,5-dinitrophenyl)ethenyl]naphthalene is sourced from PubChem (CID 11210278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).