3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene

C10H10ClNO4 — CID 54212872

IUPAC3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene
SMILESCOc1ccc(C=C[N+](=O)[O-])c(Cl)c1OC
InChIInChI=1S/C10H10ClNO4/c1-15-8-4-3-7(5-6-12(13)14)9(11)10(8)16-2/h3-6H,1-2H3
InChIKeyPXDQNCVFROGRNW-UHFFFAOYSA-N
MW243.65 g/mol
LogP2.60
Rot. Bonds4

About 3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene

3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene (PubChem CID 54212872) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is 3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene.

Molecular Properties

Compound Name3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene
PubChem CID54212872
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Name3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene
SMILESCOc1ccc(C=C[N+](=O)[O-])c(Cl)c1OC
InChIInChI=1S/C10H10ClNO4/c1-15-8-4-3-7(5-6-12(13)14)9(11)10(8)16-2/h3-6H,1-2H3
InChIKeyPXDQNCVFROGRNW-UHFFFAOYSA-N
XLogP2.60
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 52.60
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-3-methyl-4-(2-nitroethenyl)benzene
CID 131885427
(E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol
CID 163198757
2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene
CID 79335637
1-fluoro-3,4-dimethoxy-2-[(E)-2-nitroethenyl]benzene
CID 10513470
2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene
CID 15128232
4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene
CID 92527994
2-chloro-1-methoxy-4-[(E)-2-nitroethenyl]benzene
CID 65022390
1-methoxy-2-(2-nitroethenyl)naphthalene
CID 171137628
2-ethoxy-1-methoxy-3-[(Z)-2-nitroethenyl]benzene
CID 2060851
3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 2774974
2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene
CID 896112
1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene
CID 23803810

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene?
The IUPAC name of 3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene (CID 54212872) is 3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene.
What is the SMILES notation for 3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene?
The canonical SMILES for 3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene is COc1ccc(C=C[N+](=O)[O-])c(Cl)c1OC.
What is the InChIKey of 3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene?
The InChIKey is PXDQNCVFROGRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c1-15-8-4-3-7(5-6-12(13)14)9(11)10(8)16-2/h3-6H,1-2H3.
What are the key properties of 3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene?
3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene has a molecular weight of 243.65 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene is sourced from PubChem (CID 54212872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).