5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one

C16H19BrO2 — CID 67984264

IUPAC5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one
SMILESCCOC1CCC2(Cc3ccc(Br)cc3C2)C(=O)C1
InChIInChI=1S/C16H19BrO2/c1-2-19-14-5-6-16(15(18)8-14)9-11-3-4-13(17)7-12(11)10-16/h3-4,7,14H,2,5-6,8-10H2,1H3
InChIKeyNVFNAEJXKQXPQB-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.69
Rot. Bonds2

About 5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one

5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one (PubChem CID 67984264) has the molecular formula C16H19BrO2 and a molecular weight of 323.23 g/mol. Its IUPAC name is 5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one.

Molecular Properties

Compound Name5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one
PubChem CID67984264
Molecular FormulaC16H19BrO2
Molecular Weight323.23 g/mol
Exact Mass322.06
IUPAC Name5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one
SMILESCCOC1CCC2(Cc3ccc(Br)cc3C2)C(=O)C1
InChIInChI=1S/C16H19BrO2/c1-2-19-14-5-6-16(15(18)8-14)9-11-3-4-13(17)7-12(11)10-16/h3-4,7,14H,2,5-6,8-10H2,1H3
InChIKeyNVFNAEJXKQXPQB-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5'R)-5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one
CID 66584757
6-bromo-3,3-diethyl-1H-inden-2-one
CID 58375843
CID 88539519
CID 88539519
6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
CID 78160893
6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 144794657
6-bromo-2-ethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115616483
3-ethoxycyclopentan-1-one
CID 15050470
ethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate
CID 79849161
ethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate
CID 105360270
5-bromo-2-methyl-1,3-dihydroinden-2-ol
CID 122530552
ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63632055
ethyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dihydroindene-2-carboxylate
CID 68667339

Frequently Asked Questions

What is the IUPAC name of 5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one?
The IUPAC name of 5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one (CID 67984264) is 5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one.
What is the SMILES notation for 5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one?
The canonical SMILES for 5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one is CCOC1CCC2(Cc3ccc(Br)cc3C2)C(=O)C1.
What is the InChIKey of 5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one?
The InChIKey is NVFNAEJXKQXPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrO2/c1-2-19-14-5-6-16(15(18)8-14)9-11-3-4-13(17)7-12(11)10-16/h3-4,7,14H,2,5-6,8-10H2,1H3.
What are the key properties of 5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one?
5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one has a molecular weight of 323.23 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-5'-ethoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one is sourced from PubChem (CID 67984264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).