1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene

C17H17NO5 — CID 25050646

IUPAC1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene
SMILESCOc1cc(/C=C\c2ccc(OC)cc2[N+](=O)[O-])cc(OC)c1
InChIInChI=1S/C17H17NO5/c1-21-14-7-6-13(17(11-14)18(19)20)5-4-12-8-15(22-2)10-16(9-12)23-3/h4-11H,1-3H3/b5-4-
InChIKeyDOEPPEXQAGSJOF-PLNGDYQASA-N
MW315.33 g/mol
LogP3.79
Rot. Bonds6

About 1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene

1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene (PubChem CID 25050646) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene.

Molecular Properties

Compound Name1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene
PubChem CID25050646
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene
SMILESCOc1cc(/C=C\c2ccc(OC)cc2[N+](=O)[O-])cc(OC)c1
InChIInChI=1S/C17H17NO5/c1-21-14-7-6-13(17(11-14)18(19)20)5-4-12-8-15(22-2)10-16(9-12)23-3/h4-11H,1-3H3/b5-4-
InChIKeyDOEPPEXQAGSJOF-PLNGDYQASA-N
XLogP3.79
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.79
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

1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene
CID 53434856
[2-(hydroxymethyl)-3-methoxy-5-[2-(4-methoxy-2-nitrophenyl)ethenyl]phenyl]methanol
CID 123338497
1-(3-bromoprop-1-enyl)-4-methoxy-2-nitrobenzene
CID 68696051
methyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate
CID 140551592
2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline
CID 69247793
1-[2-(2,4-dimethoxyphenyl)ethenyl]-2,4-dinitrobenzene
CID 4178347
4-(4-methoxy-2-nitrophenyl)but-3-en-1-ol
CID 170477231
1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene
CID 73187719
1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4-nitrophenol
CID 118720095
(E)-3-(4-methoxy-2-nitrophenyl)-2-methylprop-2-enoic acid
CID 66774250
2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6000919

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene?
The IUPAC name of 1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene (CID 25050646) is 1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene.
What is the SMILES notation for 1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene?
The canonical SMILES for 1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene is COc1cc(/C=C\c2ccc(OC)cc2[N+](=O)[O-])cc(OC)c1.
What is the InChIKey of 1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene?
The InChIKey is DOEPPEXQAGSJOF-PLNGDYQASA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-14-7-6-13(17(11-14)18(19)20)5-4-12-8-15(22-2)10-16(9-12)23-3/h4-11H,1-3H3/b5-4-.
What are the key properties of 1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene?
1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene has a molecular weight of 315.33 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene is sourced from PubChem (CID 25050646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).