2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine

C52H52Cl7N3O4 — CID 157346980

IUPAC2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine
SMILESClc1cc(C2CNCCO2)ccc1OCc1c(Cl)cccc1Cl.Clc1cccc(Cl)c1CCc1ccc(C2CNCCO2)cc1.Clc1cccc(Cl)c1Cc1ccc(C2CNCCO2)cc1
InChIInChI=1S/C18H19Cl2NO.C17H16Cl3NO2.C17H17Cl2NO/c19-16-2-1-3-17(20)15(16)9-6-13-4-7-14(8-5-13)18-12-21-10-11-22-18;18-13-2-1-3-14(19)12(13)10-23-16-5-4-11(8-15(16)20)17-9-21-6-7-22-17;18-15-2-1-3-16(19)14(15)10-12-4-6-13(7-5-12)17-11-20-8-9-21-17/h1-5,7-8,18,21H,6,9-12H2;1-5,8,17,21H,6-7,9-10H2;1-7,17,20H,8-11H2
InChIKeyBHBWLJQZBNMHBJ-UHFFFAOYSA-N
MW1031.18 g/mol
LogP13.57
Rot. Bonds11

About 2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine

2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine (PubChem CID 157346980) has the molecular formula C52H52Cl7N3O4 and a molecular weight of 1031.18 g/mol. Its IUPAC name is 2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine.

Molecular Properties

Compound Name2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine
PubChem CID157346980
Molecular FormulaC52H52Cl7N3O4
Molecular Weight1031.18 g/mol
Exact Mass1027.18
IUPAC Name2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine
SMILESClc1cc(C2CNCCO2)ccc1OCc1c(Cl)cccc1Cl.Clc1cccc(Cl)c1CCc1ccc(C2CNCCO2)cc1.Clc1cccc(Cl)c1Cc1ccc(C2CNCCO2)cc1
InChIInChI=1S/C18H19Cl2NO.C17H16Cl3NO2.C17H17Cl2NO/c19-16-2-1-3-17(20)15(16)9-6-13-4-7-14(8-5-13)18-12-21-10-11-22-18;18-13-2-1-3-14(19)12(13)10-23-16-5-4-11(8-15(16)20)17-9-21-6-7-22-17;18-15-2-1-3-16(19)14(15)10-12-4-6-13(7-5-12)17-11-20-8-9-21-17/h1-5,7-8,18,21H,6,9-12H2;1-5,8,17,21H,6-7,9-10H2;1-7,17,20H,8-11H2
InChIKeyBHBWLJQZBNMHBJ-UHFFFAOYSA-N
XLogP13.57
TPSA73.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.18
LogP ≤ 513.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine with MolForge

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Related Compounds

(2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine
CID 124564123
2-(3-chloro-4-ethoxyphenyl)morpholine
CID 82293187
2-(4-phenylmethoxy-3-propylphenyl)morpholine
CID 69353396
(2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine
CID 161143915
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
(2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine
CID 147052117
2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine
CID 117454632
4-morpholin-2-yl-2-phenylmethoxyphenol
CID 117459594
(2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine
CID 159619317
2-[4-(2-pyrrolidin-1-ylethyl)phenyl]morpholine
CID 117405594
1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)propan-2-one
CID 58315659
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine
CID 117478225

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine?
The IUPAC name of 2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine (CID 157346980) is 2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine.
What is the SMILES notation for 2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine?
The canonical SMILES for 2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine is Clc1cc(C2CNCCO2)ccc1OCc1c(Cl)cccc1Cl.Clc1cccc(Cl)c1CCc1ccc(C2CNCCO2)cc1.Clc1cccc(Cl)c1Cc1ccc(C2CNCCO2)cc1.
What is the InChIKey of 2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine?
The InChIKey is BHBWLJQZBNMHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO.C17H16Cl3NO2.C17H17Cl2NO/c19-16-2-1-3-17(20)15(16)9-6-13-4-7-14(8-5-13)18-12-21-10-11-22-18;18-13-2-1-3-14(19)12(13)10-23-16-5-4-11(8-15(16)20)17-9-21-6-7-22-17;18-15-2-1-3-16(19)14(15)10-12-4-6-13(7-5-12)17-11-20-8-9-21-17/h1-5,7-8,18,21H,6,9-12H2;1-5,8,17,21H,6-7,9-10H2;1-7,17,20H,8-11H2.
What are the key properties of 2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine?
2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine has a molecular weight of 1031.18 g/mol, XLogP of 13.57, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine is sourced from PubChem (CID 157346980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).