6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one

C17H21BrO2 — CID 78160893

IUPAC6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCCC1CC2(CCC1OC)Cc1ccc(Br)cc1C2=O
InChIInChI=1S/C17H21BrO2/c1-3-11-9-17(7-6-15(11)20-2)10-12-4-5-13(18)8-14(12)16(17)19/h4-5,8,11,15H,3,6-7,9-10H2,1-2H3
InChIKeyYWDBTDXRRWJJOE-UHFFFAOYSA-N
MW337.26 g/mol
LogP4.40
Rot. Bonds2

About 6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one

6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one (PubChem CID 78160893) has the molecular formula C17H21BrO2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
PubChem CID78160893
Molecular FormulaC17H21BrO2
Molecular Weight337.26 g/mol
Exact Mass336.07
IUPAC Name6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCCC1CC2(CCC1OC)Cc1ccc(Br)cc1C2=O
InChIInChI=1S/C17H21BrO2/c1-3-11-9-17(7-6-15(11)20-2)10-12-4-5-13(18)8-14(12)16(17)19/h4-5,8,11,15H,3,6-7,9-10H2,1-2H3
InChIKeyYWDBTDXRRWJJOE-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3'S,4'S)-6-bromo-3'-ethyl-4'-hydroxyspiro[3H-indene-2,1'-cyclohexane]-1-one;(3'S,4'S)-6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one;(2'S)-6-bromo-2'-ethylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione;methanol
CID 159438283
(2S,2'S)-6-bromo-2'-ethylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 121276859
6-bromo-4'-hydroxy-3'-methylspiro[3H-indene-2,1'-cyclohexane]-1-one
CID 78160991
6-bromo-2'-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 71727953
6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 58197205
(5-bromo-2',3-dioxospiro[1H-indene-2,5'-cyclohexane]-1'-yl) acetate
CID 123230128
6'-bromospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one
CID 58197583
lithium;(S)-N-[(1R,2R,3'R,4'R)-6-bromo-1-(1-ethoxyethenyl)-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(2R,3'R,4'R)-6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene]-2-methylpropane-2-sulfinamide;ethenoxyethane
CID 159590394
ethyl (1R,2R,3'R,4'R)-1-amino-6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-carboxylate;ethyl (1R,2R,3'R,4'R)-1-amino-3'-ethyl-6-isocyano-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-carboxylate
CID 161400347
6'-bromospiro[1,2,5,6,8,9-hexahydrobenzo[7]annulene-7,2'-3H-indene]-1'-one
CID 66584883
4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-one
CID 58197960
4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one
CID 58197828

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The IUPAC name of 6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one (CID 78160893) is 6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one.
What is the SMILES notation for 6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The canonical SMILES for 6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one is CCC1CC2(CCC1OC)Cc1ccc(Br)cc1C2=O.
What is the InChIKey of 6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The InChIKey is YWDBTDXRRWJJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrO2/c1-3-11-9-17(7-6-15(11)20-2)10-12-4-5-13(18)8-14(12)16(17)19/h4-5,8,11,15H,3,6-7,9-10H2,1-2H3.
What are the key properties of 6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one has a molecular weight of 337.26 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one is sourced from PubChem (CID 78160893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).