1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene

C9H8ClNO3 — CID 154718283

IUPAC1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene
SMILESCOc1ccccc1/C(Cl)=C\[N+](=O)[O-]
InChIInChI=1S/C9H8ClNO3/c1-14-9-5-3-2-4-7(9)8(10)6-11(12)13/h2-6H,1H3/b8-6+
InChIKeyJSBAXXANWKHGHW-SOFGYWHQSA-N
MW213.62 g/mol
LogP2.51
Rot. Bonds3

About 1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene

1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene (PubChem CID 154718283) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is 1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene
PubChem CID154718283
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Name1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene
SMILESCOc1ccccc1/C(Cl)=C\[N+](=O)[O-]
InChIInChI=1S/C9H8ClNO3/c1-14-9-5-3-2-4-7(9)8(10)6-11(12)13/h2-6H,1H3/b8-6+
InChIKeyJSBAXXANWKHGHW-SOFGYWHQSA-N
XLogP2.51
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-chloro-3-(2-methoxyphenyl)prop-2-enenitrile
CID 74864079
1-[(Z)-2-chloro-2-nitroethenyl]-2-methoxybenzene
CID 15396657
2-chloro-2-(2-methoxyphenyl)ethenone
CID 87462542
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-methoxybenzoate
CID 19165949
2-methoxybenzoate;hydrochloride
CID 18793456
1-[(Z)-1,2-dichloroprop-1-enyl]-2-methoxybenzene
CID 118255169
N-[(Z)-2-(2-methoxyphenyl)-2-nitroethenyl]aniline
CID 15365634
2-Hydroxy-3-phenyl-3-(2-methoxy-phenoxy)-1-nitropropene sodium salt
CID 70579319
N-(2,2-dichloroethenyl)-2-methoxybenzamide
CID 12837648
(E)-1-(2-methoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 19566928
2-[3-chloro-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione
CID 173405990
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene?
The IUPAC name of 1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene (CID 154718283) is 1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene.
What is the SMILES notation for 1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene?
The canonical SMILES for 1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene is COc1ccccc1/C(Cl)=C\[N+](=O)[O-].
What is the InChIKey of 1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene?
The InChIKey is JSBAXXANWKHGHW-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H8ClNO3/c1-14-9-5-3-2-4-7(9)8(10)6-11(12)13/h2-6H,1H3/b8-6+.
What are the key properties of 1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene?
1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene has a molecular weight of 213.62 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene is sourced from PubChem (CID 154718283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).