1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene

C11H13NO5 — CID 23803810

IUPAC1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene
SMILESCOc1cc(/C=C\[N+](=O)[O-])cc(OC)c1OC
InChIInChI=1S/C11H13NO5/c1-15-9-6-8(4-5-12(13)14)7-10(16-2)11(9)17-3/h4-7H,1-3H3/b5-4-
InChIKeyPEPYBEJQAIGLRE-PLNGDYQASA-N
MW239.23 g/mol
LogP1.96
Rot. Bonds5

About 1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene

1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene (PubChem CID 23803810) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene
PubChem CID23803810
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene
SMILESCOc1cc(/C=C\[N+](=O)[O-])cc(OC)c1OC
InChIInChI=1S/C11H13NO5/c1-15-9-6-8(4-5-12(13)14)7-10(16-2)11(9)17-3/h4-7H,1-3H3/b5-4-
InChIKeyPEPYBEJQAIGLRE-PLNGDYQASA-N
XLogP1.96
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.96
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

1-ethoxy-2,3-dimethoxy-5-(2-nitroethenyl)benzene
CID 86250366
2-(1-deuterio-2,2-difluoroethenoxy)-1,3-dimethoxy-5-(2-nitroethenyl)benzene
CID 172713269
1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene
CID 709688
2-iodo-6-methoxy-4-[(E)-2-nitroethenyl]phenol
CID 1494561
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
1-chloro-3-methoxy-5-[(E)-2-nitroethenyl]-2-prop-2-ynoxybenzene
CID 2181097
[2-bromo-6-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-methylpropanoate
CID 19165970
1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 23972782
2-chloro-1-methoxy-4-[(E)-2-nitroethenyl]benzene
CID 65022390
1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
CID 24854190
[2-methoxy-5-(2-nitroethenyl)phenyl] acetate
CID 131865778
1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene
CID 1260860

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene (CID 23803810) is 1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene is COc1cc(/C=C\[N+](=O)[O-])cc(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene?
The InChIKey is PEPYBEJQAIGLRE-PLNGDYQASA-N. The full InChI is InChI=1S/C11H13NO5/c1-15-9-6-8(4-5-12(13)14)7-10(16-2)11(9)17-3/h4-7H,1-3H3/b5-4-.
What are the key properties of 1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene?
1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene has a molecular weight of 239.23 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene is sourced from PubChem (CID 23803810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).