1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene

C10H11NO4 — CID 709688

IUPAC1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene
SMILESCOc1ccc(/C=C/[N+](=O)[O-])cc1OC
InChIInChI=1S/C10H11NO4/c1-14-9-4-3-8(5-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3/b6-5+
InChIKeySYJMYDMKPSZMSB-AATRIKPKSA-N
MW209.20 g/mol
LogP1.95
Rot. Bonds4

About 1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene

1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene (PubChem CID 709688) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene
PubChem CID709688
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene
SMILESCOc1ccc(/C=C/[N+](=O)[O-])cc1OC
InChIInChI=1S/C10H11NO4/c1-14-9-4-3-8(5-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3/b6-5+
InChIKeySYJMYDMKPSZMSB-AATRIKPKSA-N
XLogP1.95
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.95
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

4-(2-nitroethenyl)-1,2-bis(trideuteriomethoxy)benzene
CID 90916351
[2-methoxy-5-(2-nitroethenyl)phenyl] acetate
CID 131865778
2-chloro-1-methoxy-4-[(E)-2-nitroethenyl]benzene
CID 65022390
1-heptoxy-2-methoxy-4-[(E)-2-nitroethenyl]benzene
CID 19170401
1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene
CID 10946993
1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene
CID 23803810
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-methoxybenzoate
CID 19165949
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] pentanoate
CID 19184236
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3,5-dichlorobenzoate
CID 52949600
[2-methoxy-4-(2-nitroethenyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate
CID 724692
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-propan-2-ylbenzoate
CID 1406543
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3-methylbenzoate
CID 19170376

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene?
The IUPAC name of 1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene (CID 709688) is 1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene?
The canonical SMILES for 1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene is COc1ccc(/C=C/[N+](=O)[O-])cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene?
The InChIKey is SYJMYDMKPSZMSB-AATRIKPKSA-N. The full InChI is InChI=1S/C10H11NO4/c1-14-9-4-3-8(5-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3/b6-5+.
What are the key properties of 1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene?
1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene has a molecular weight of 209.20 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene is sourced from PubChem (CID 709688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).