2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine

C18H19Cl2N3O7 — CID 159494926

IUPAC2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine
SMILESO=[N+]([O-])c1cccc(O)c1Cl.O=[N+]([O-])c1cccc(OCCN2CCOCC2)c1Cl
InChIInChI=1S/C12H15ClN2O4.C6H4ClNO3/c13-12-10(15(16)17)2-1-3-11(12)19-9-6-14-4-7-18-8-5-14;7-6-4(8(10)11)2-1-3-5(6)9/h1-3H,4-9H2;1-3,9H
InChIKeyLYQXAXXAJRZNJQ-UHFFFAOYSA-N
MW460.27 g/mol
LogP3.91
Rot. Bonds6

About 2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine

2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine (PubChem CID 159494926) has the molecular formula C18H19Cl2N3O7 and a molecular weight of 460.27 g/mol. Its IUPAC name is 2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine.

Molecular Properties

Compound Name2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine
PubChem CID159494926
Molecular FormulaC18H19Cl2N3O7
Molecular Weight460.27 g/mol
Exact Mass459.06
IUPAC Name2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine
SMILESO=[N+]([O-])c1cccc(O)c1Cl.O=[N+]([O-])c1cccc(OCCN2CCOCC2)c1Cl
InChIInChI=1S/C12H15ClN2O4.C6H4ClNO3/c13-12-10(15(16)17)2-1-3-11(12)19-9-6-14-4-7-18-8-5-14;7-6-4(8(10)11)2-1-3-5(6)9/h1-3H,4-9H2;1-3,9H
InChIKeyLYQXAXXAJRZNJQ-UHFFFAOYSA-N
XLogP3.91
TPSA128.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[3-(2-nitrophenoxy)propyl]morpholine
CID 2232477
4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
2-(3-morpholin-4-ylpropoxy)-6-nitrobenzoic acid
CID 175238425
4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine
CID 11991204
4-(2-morpholin-4-ylethoxy)-3-nitrobenzaldehyde
CID 23117913
4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine
CID 118961391
4-(2-morpholin-4-ylethoxy)-3-nitrobenzonitrile
CID 59313895
4-bromo-5-(2-morpholin-4-ylethoxy)-2-nitroaniline
CID 168991995
cesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride
CID 173253218
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(2-nitrophenyl)methanone
CID 33324353

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine?
The IUPAC name of 2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine (CID 159494926) is 2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine.
What is the SMILES notation for 2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine?
The canonical SMILES for 2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine is O=[N+]([O-])c1cccc(O)c1Cl.O=[N+]([O-])c1cccc(OCCN2CCOCC2)c1Cl.
What is the InChIKey of 2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine?
The InChIKey is LYQXAXXAJRZNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4.C6H4ClNO3/c13-12-10(15(16)17)2-1-3-11(12)19-9-6-14-4-7-18-8-5-14;7-6-4(8(10)11)2-1-3-5(6)9/h1-3H,4-9H2;1-3,9H.
What are the key properties of 2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine?
2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine has a molecular weight of 460.27 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine is sourced from PubChem (CID 159494926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).