4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene

C14H12ClNO4 — CID 78976905

IUPAC4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene
SMILESO=[N+]([O-])c1ccc(Cl)cc1OCCOc1ccccc1
InChIInChI=1S/C14H12ClNO4/c15-11-6-7-13(16(17)18)14(10-11)20-9-8-19-12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKeyFUNHFENNGPMMMA-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.71
Rot. Bonds6

About 4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene

4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene (PubChem CID 78976905) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene.

Molecular Properties

Compound Name4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene
PubChem CID78976905
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene
SMILESO=[N+]([O-])c1ccc(Cl)cc1OCCOc1ccccc1
InChIInChI=1S/C14H12ClNO4/c15-11-6-7-13(16(17)18)14(10-11)20-9-8-19-12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKeyFUNHFENNGPMMMA-UHFFFAOYSA-N
XLogP3.71
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-1-nitro-2-(2-phenoxyethoxy)benzene
CID 62114705
4-chloro-2-(chloromethoxy)-1-nitrobenzene
CID 79529891
9-(5-chloro-2-nitrophenoxy)nonane-1-thiol
CID 105344440
4-chloro-2-[2-(2-methylpropoxy)ethoxy]-1-nitrobenzene
CID 106459961
4-(5-chloro-2-nitrophenoxy)butan-2-one
CID 62306218
1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one
CID 78917327
4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene
CID 7714405
N-[2-(5-chloro-2-nitrophenoxy)ethyl]-2-methylpropan-2-amine
CID 55057809
6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine
CID 43330207
3-(5-chloro-2-nitrophenoxy)propanehydrazide
CID 63568929
1-[2-(5-chloro-2-nitrophenoxy)ethyl]-4-methylpiperazine
CID 82891988
(4-chloro-2-nitrophenyl) 2-phenoxyacetate
CID 4287531

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene?
The IUPAC name of 4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene (CID 78976905) is 4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene.
What is the SMILES notation for 4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene?
The canonical SMILES for 4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene is O=[N+]([O-])c1ccc(Cl)cc1OCCOc1ccccc1.
What is the InChIKey of 4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene?
The InChIKey is FUNHFENNGPMMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c15-11-6-7-13(16(17)18)14(10-11)20-9-8-19-12-4-2-1-3-5-12/h1-7,10H,8-9H2.
What are the key properties of 4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene?
4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene has a molecular weight of 293.71 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene is sourced from PubChem (CID 78976905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).