cesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride

C13H16Cl2CsNO4 — CID 173253218

IUPACcesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride
SMILESO=C(O)c1c(Cl)ccc(OCCN2CCOCC2)c1Cl.[Cs+].[H-]
InChIInChI=1S/C13H15Cl2NO4.Cs.H/c14-9-1-2-10(12(15)11(9)13(17)18)20-8-5-16-3-6-19-7-4-16;;/h1-2H,3-8H2,(H,17,18);;/q;+1;-1
InChIKeyMUDKYXWJFPWLHZ-UHFFFAOYSA-N
MW454.09 g/mol
LogP-0.48
Rot. Bonds5

About cesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride

cesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride (PubChem CID 173253218) has the molecular formula C13H16Cl2CsNO4 and a molecular weight of 454.09 g/mol. Its IUPAC name is cesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride.

Molecular Properties

Compound Namecesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride
PubChem CID173253218
Molecular FormulaC13H16Cl2CsNO4
Molecular Weight454.09 g/mol
Exact Mass452.95
IUPAC Namecesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride
SMILESO=C(O)c1c(Cl)ccc(OCCN2CCOCC2)c1Cl.[Cs+].[H-]
InChIInChI=1S/C13H15Cl2NO4.Cs.H/c14-9-1-2-10(12(15)11(9)13(17)18)20-8-5-16-3-6-19-7-4-16;;/h1-2H,3-8H2,(H,17,18);;/q;+1;-1
InChIKeyMUDKYXWJFPWLHZ-UHFFFAOYSA-N
XLogP-0.48
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.09
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate;hydrochloride
CID 70084406
2,6-dichloro-3-(2-pyrrolidin-1-ylethoxy)benzoic acid;hydrochloride
CID 67768016
4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
methyl 2,6-dichloro-3-(2-pyrrolidin-1-ylethoxy)benzoate
CID 54055500
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
4-[2-(2-chloro-5-iodophenoxy)ethyl]morpholine
CID 122524434
3-fluoro-4-(2-morpholin-4-ylethoxy)benzoic acid
CID 107689816
(E)-3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 114321214
4-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2,2-dimethylbutanoic acid
CID 122127082
4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 4156120
3-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]-2-methylpropanoic acid
CID 122047210
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea
CID 108882401

Frequently Asked Questions

What is the IUPAC name of cesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride?
The IUPAC name of cesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride (CID 173253218) is cesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride.
What is the SMILES notation for cesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride?
The canonical SMILES for cesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride is O=C(O)c1c(Cl)ccc(OCCN2CCOCC2)c1Cl.[Cs+].[H-].
What is the InChIKey of cesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride?
The InChIKey is MUDKYXWJFPWLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4.Cs.H/c14-9-1-2-10(12(15)11(9)13(17)18)20-8-5-16-3-6-19-7-4-16;;/h1-2H,3-8H2,(H,17,18);;/q;+1;-1.
What are the key properties of cesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride?
cesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride has a molecular weight of 454.09 g/mol, XLogP of -0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride is sourced from PubChem (CID 173253218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).