1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene

C16H13Cl2NO4 — CID 23774722

IUPAC1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene
SMILESCOc1cc(/C=C\[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2NO4/c1-22-16-8-11(6-7-19(20)21)2-5-15(16)23-10-12-3-4-13(17)9-14(12)18/h2-9H,10H2,1H3/b7-6-
InChIKeyWGKPFHKCHNTRRE-SREVYHEPSA-N
MW354.19 g/mol
LogP4.83
Rot. Bonds6

About 1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene

1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene (PubChem CID 23774722) has the molecular formula C16H13Cl2NO4 and a molecular weight of 354.19 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene
PubChem CID23774722
Molecular FormulaC16H13Cl2NO4
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene
SMILESCOc1cc(/C=C\[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2NO4/c1-22-16-8-11(6-7-19(20)21)2-5-15(16)23-10-12-3-4-13(17)9-14(12)18/h2-9H,10H2,1H3/b7-6-
InChIKeyWGKPFHKCHNTRRE-SREVYHEPSA-N
XLogP4.83
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.83
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'}

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Related Compounds

1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene
CID 709688
[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 78678912
2-chloro-1-methoxy-4-[(E)-2-nitroethenyl]benzene
CID 65022390
2-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-nitro-1,3-benzothiazole
CID 3972990
1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene
CID 1260860
4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110506064
1-heptoxy-2-methoxy-4-[(E)-2-nitroethenyl]benzene
CID 19170401
7-[(2,4-dichlorophenyl)methyl]-8-[2-methoxy-4-(2-nitroethenyl)phenoxy]-1,3-dimethylpurine-2,6-dione
CID 3599771
1-[(2-chlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
CID 12005127
1-[(3-chlorophenyl)methoxy]-2-ethoxy-4-[(E)-2-nitroethenyl]benzene
CID 6035841
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 124553151
[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 6894192

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene?
The IUPAC name of 1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene (CID 23774722) is 1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene is COc1cc(/C=C\[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene?
The InChIKey is WGKPFHKCHNTRRE-SREVYHEPSA-N. The full InChI is InChI=1S/C16H13Cl2NO4/c1-22-16-8-11(6-7-19(20)21)2-5-15(16)23-10-12-3-4-13(17)9-14(12)18/h2-9H,10H2,1H3/b7-6-.
What are the key properties of 1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene?
1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene has a molecular weight of 354.19 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene is sourced from PubChem (CID 23774722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).