1-methoxy-4-[2-(4-nitrophenyl)ethenyl]phthalazine

C17H13N3O3 — CID 6812565

IUPAC1-methoxy-4-[2-(4-nitrophenyl)ethenyl]phthalazine
SMILESCOc1nnc(C=Cc2ccc([N+](=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C17H13N3O3/c1-23-17-15-5-3-2-4-14(15)16(18-19-17)11-8-12-6-9-13(10-7-12)20(21)22/h2-11H,1H3
InChIKeyZVENIUMHUYNCPM-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.72
Rot. Bonds4

About 1-methoxy-4-[2-(4-nitrophenyl)ethenyl]phthalazine

1-methoxy-4-[2-(4-nitrophenyl)ethenyl]phthalazine (PubChem CID 6812565) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-methoxy-4-[2-(4-nitrophenyl)ethenyl]phthalazine.

Molecular Properties

Compound Name1-methoxy-4-[2-(4-nitrophenyl)ethenyl]phthalazine
PubChem CID6812565
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name1-methoxy-4-[2-(4-nitrophenyl)ethenyl]phthalazine
SMILESCOc1nnc(C=Cc2ccc([N+](=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C17H13N3O3/c1-23-17-15-5-3-2-4-14(15)16(18-19-17)11-8-12-6-9-13(10-7-12)20(21)22/h2-11H,1H3
InChIKeyZVENIUMHUYNCPM-UHFFFAOYSA-N
XLogP3.72
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.72
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'}

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Related Compounds

9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene
CID 139774271
1,3,5-trimethoxy-2,4,6-tris[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 15542576
9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene
CID 15074034
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
CID 67928044
trimethyl-[(E)-2-(4-nitrophenyl)ethenyl]silane
CID 13196779
1-[(Z)-2-methoxyethenyl]-4-nitrobenzene
CID 12555318
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
3-[(E)-2-(4-nitrophenyl)ethenyl]-2,1-benzoxazole
CID 6079913
1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 154194561
1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-(4-nitrophenyl)ethenyl]phthalazine?
The IUPAC name of 1-methoxy-4-[2-(4-nitrophenyl)ethenyl]phthalazine (CID 6812565) is 1-methoxy-4-[2-(4-nitrophenyl)ethenyl]phthalazine.
What is the SMILES notation for 1-methoxy-4-[2-(4-nitrophenyl)ethenyl]phthalazine?
The canonical SMILES for 1-methoxy-4-[2-(4-nitrophenyl)ethenyl]phthalazine is COc1nnc(C=Cc2ccc([N+](=O)[O-])cc2)c2ccccc12.
What is the InChIKey of 1-methoxy-4-[2-(4-nitrophenyl)ethenyl]phthalazine?
The InChIKey is ZVENIUMHUYNCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-23-17-15-5-3-2-4-14(15)16(18-19-17)11-8-12-6-9-13(10-7-12)20(21)22/h2-11H,1H3.
What are the key properties of 1-methoxy-4-[2-(4-nitrophenyl)ethenyl]phthalazine?
1-methoxy-4-[2-(4-nitrophenyl)ethenyl]phthalazine has a molecular weight of 307.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-(4-nitrophenyl)ethenyl]phthalazine is sourced from PubChem (CID 6812565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).