2-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]naphthalene

C20H17NO4 — CID 11151810

IUPAC2-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]naphthalene
SMILESCOc1cc(/C=C\c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OC
InChIInChI=1S/C20H17NO4/c1-24-19-13-15(12-18(21(22)23)20(19)25-2)8-7-14-9-10-16-5-3-4-6-17(16)11-14/h3-13H,1-2H3/b8-7-
InChIKeyHMBHLSFDCBXYET-FPLPWBNLSA-N
MW335.36 g/mol
LogP4.94
Rot. Bonds5

About 2-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]naphthalene

2-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]naphthalene (PubChem CID 11151810) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]naphthalene.

Molecular Properties

Compound Name2-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]naphthalene
PubChem CID11151810
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name2-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]naphthalene
SMILESCOc1cc(/C=C\c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OC
InChIInChI=1S/C20H17NO4/c1-24-19-13-15(12-18(21(22)23)20(19)25-2)8-7-14-9-10-16-5-3-4-6-17(16)11-14/h3-13H,1-2H3/b8-7-
InChIKeyHMBHLSFDCBXYET-FPLPWBNLSA-N
XLogP4.94
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]naphthalene?
The IUPAC name of 2-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]naphthalene (CID 11151810) is 2-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]naphthalene.
What is the SMILES notation for 2-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]naphthalene?
The canonical SMILES for 2-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]naphthalene is COc1cc(/C=C\c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OC.
What is the InChIKey of 2-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]naphthalene?
The InChIKey is HMBHLSFDCBXYET-FPLPWBNLSA-N. The full InChI is InChI=1S/C20H17NO4/c1-24-19-13-15(12-18(21(22)23)20(19)25-2)8-7-14-9-10-16-5-3-4-6-17(16)11-14/h3-13H,1-2H3/b8-7-.
What are the key properties of 2-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]naphthalene?
2-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]naphthalene has a molecular weight of 335.36 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]naphthalene is sourced from PubChem (CID 11151810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).