2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene

C19H15NO3 — CID 11381187

IUPAC2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene
SMILESCOc1ccc(/C=C\c2ccc3ccccc3c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H15NO3/c1-23-19-11-9-15(13-18(19)20(21)22)7-6-14-8-10-16-4-2-3-5-17(16)12-14/h2-13H,1H3/b7-6-
InChIKeyFRUDEUQMXYWJRO-SREVYHEPSA-N
MW305.33 g/mol
LogP4.93
Rot. Bonds4

About 2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene

2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene (PubChem CID 11381187) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene.

Molecular Properties

Compound Name2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene
PubChem CID11381187
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene
SMILESCOc1ccc(/C=C\c2ccc3ccccc3c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H15NO3/c1-23-19-11-9-15(13-18(19)20(21)22)7-6-14-8-10-16-4-2-3-5-17(16)12-14/h2-13H,1H3/b7-6-
InChIKeyFRUDEUQMXYWJRO-SREVYHEPSA-N
XLogP4.93
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.93
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-Methoxy-4-methyl-2-nitrobenzene
CID 67058
1-Methoxy-2-nitro-4-phenylbenzene
CID 615238
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
2-Methoxy-1-nitronaphthalene
CID 78614
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
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
6-Methoxy-7-nitro-1,2,3,4-tetrahydronaphthalene
CID 4996942
4-Methyl-1-(4-methylphenoxy)-2-nitrobenzene
CID 361284

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene?
The IUPAC name of 2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene (CID 11381187) is 2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene.
What is the SMILES notation for 2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene?
The canonical SMILES for 2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene is COc1ccc(/C=C\c2ccc3ccccc3c2)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene?
The InChIKey is FRUDEUQMXYWJRO-SREVYHEPSA-N. The full InChI is InChI=1S/C19H15NO3/c1-23-19-11-9-15(13-18(19)20(21)22)7-6-14-8-10-16-4-2-3-5-17(16)12-14/h2-13H,1H3/b7-6-.
What are the key properties of 2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene?
2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene has a molecular weight of 305.33 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene is sourced from PubChem (CID 11381187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).