4-(1-chloroethenyl)-2-methoxy-1-nitrobenzene

C9H8ClNO3 — CID 143994259

IUPAC4-(1-chloroethenyl)-2-methoxy-1-nitrobenzene
SMILESC=C(Cl)c1ccc([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C9H8ClNO3/c1-6(10)7-3-4-8(11(12)13)9(5-7)14-2/h3-5H,1H2,2H3
InChIKeyMIQKLAWXRSKIBU-UHFFFAOYSA-N
MW213.62 g/mol
LogP2.81
Rot. Bonds3

About 4-(1-chloroethenyl)-2-methoxy-1-nitrobenzene

4-(1-chloroethenyl)-2-methoxy-1-nitrobenzene (PubChem CID 143994259) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is 4-(1-chloroethenyl)-2-methoxy-1-nitrobenzene.

Molecular Properties

Compound Name4-(1-chloroethenyl)-2-methoxy-1-nitrobenzene
PubChem CID143994259
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Name4-(1-chloroethenyl)-2-methoxy-1-nitrobenzene
SMILESC=C(Cl)c1ccc([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C9H8ClNO3/c1-6(10)7-3-4-8(11(12)13)9(5-7)14-2/h3-5H,1H2,2H3
InChIKeyMIQKLAWXRSKIBU-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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

1-(3-methoxy-4-nitrophenyl)ethanone
CID 11679990
1-(3-methoxy-4-nitrophenyl)-2-methylpropan-1-one
CID 83969059
2-(3-methoxy-4-nitrobenzoyl)propanedinitrile
CID 104783464
N-cyano-3-methoxy-4-nitrobenzamide
CID 104783612
1-(3-methoxy-4-nitrophenyl)-3-methylsulfanylpropan-1-one
CID 104783510
N-(1-chloropropan-2-yl)-3-methoxy-4-nitrobenzamide
CID 104784784
2-[(3-methoxy-4-nitrobenzoyl)amino]propanoic acid
CID 83767983
2-[(3-methoxy-4-nitrobenzoyl)-methylamino]acetic acid
CID 115729869
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
N-(3-chloropyrazin-2-yl)-3-methoxy-4-nitrobenzamide
CID 102989249
N-ethyl-3-methoxy-4-nitro-N-prop-2-enylbenzamide
CID 84558856
1-(3-methoxy-4-nitrophenyl)-3-methylbutan-2-one
CID 55233556

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethenyl)-2-methoxy-1-nitrobenzene?
The IUPAC name of 4-(1-chloroethenyl)-2-methoxy-1-nitrobenzene (CID 143994259) is 4-(1-chloroethenyl)-2-methoxy-1-nitrobenzene.
What is the SMILES notation for 4-(1-chloroethenyl)-2-methoxy-1-nitrobenzene?
The canonical SMILES for 4-(1-chloroethenyl)-2-methoxy-1-nitrobenzene is C=C(Cl)c1ccc([N+](=O)[O-])c(OC)c1.
What is the InChIKey of 4-(1-chloroethenyl)-2-methoxy-1-nitrobenzene?
The InChIKey is MIQKLAWXRSKIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3/c1-6(10)7-3-4-8(11(12)13)9(5-7)14-2/h3-5H,1H2,2H3.
What are the key properties of 4-(1-chloroethenyl)-2-methoxy-1-nitrobenzene?
4-(1-chloroethenyl)-2-methoxy-1-nitrobenzene has a molecular weight of 213.62 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethenyl)-2-methoxy-1-nitrobenzene is sourced from PubChem (CID 143994259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).