6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one

C20H26BrNO3 — CID 58154278

IUPAC6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one
SMILESO=C1Cc2cc(Br)ccc2C12CCC(OCCN1CCOCC1)CC2
InChIInChI=1S/C20H26BrNO3/c21-16-1-2-18-15(13-16)14-19(23)20(18)5-3-17(4-6-20)25-12-9-22-7-10-24-11-8-22/h1-2,13,17H,3-12,14H2
InChIKeyXEGRZTKXXWMNQZ-UHFFFAOYSA-N
MW408.34 g/mol
LogP3.10
Rot. Bonds4

About 6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one

6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one (PubChem CID 58154278) has the molecular formula C20H26BrNO3 and a molecular weight of 408.34 g/mol. Its IUPAC name is 6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one
PubChem CID58154278
Molecular FormulaC20H26BrNO3
Molecular Weight408.34 g/mol
Exact Mass407.11
IUPAC Name6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one
SMILESO=C1Cc2cc(Br)ccc2C12CCC(OCCN1CCOCC1)CC2
InChIInChI=1S/C20H26BrNO3/c21-16-1-2-18-15(13-16)14-19(23)20(18)5-3-17(4-6-20)25-12-9-22-7-10-24-11-8-22/h1-2,13,17H,3-12,14H2
InChIKeyXEGRZTKXXWMNQZ-UHFFFAOYSA-N
XLogP3.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one with MolForge

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Related Compounds

CID 88976195
CID 88976195
4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide
CID 22568119
4,10-bis[2-(3,4-diphenylcyclopentyl)oxyethyl]-1,7-dioxa-4,10-diazacyclododecane
CID 72568901
4-[2-(4-propan-2-ylcyclohexyl)oxyethyl]morpholine
CID 71234494
4-[2-(1,2,3,4-tetrahydroquinolin-3-yloxy)ethyl]morpholine
CID 107387425
5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one
CID 67984264
(5'R)-5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one
CID 66584757
1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine
CID 113414133
4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
CID 2843796
6-amino-1-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride
CID 155836671
2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate
CID 19798623
6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 65346726

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one?
The IUPAC name of 6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one (CID 58154278) is 6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one?
The canonical SMILES for 6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one is O=C1Cc2cc(Br)ccc2C12CCC(OCCN1CCOCC1)CC2.
What is the InChIKey of 6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one?
The InChIKey is XEGRZTKXXWMNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrNO3/c21-16-1-2-18-15(13-16)14-19(23)20(18)5-3-17(4-6-20)25-12-9-22-7-10-24-11-8-22/h1-2,13,17H,3-12,14H2.
What are the key properties of 6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one?
6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one has a molecular weight of 408.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 58154278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).