6-bromo-4'-hydroxy-3'-methylspiro[3H-indene-2,1'-cyclohexane]-1-one

C15H17BrO2 — CID 78160991

IUPAC6-bromo-4'-hydroxy-3'-methylspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCC1CC2(CCC1O)Cc1ccc(Br)cc1C2=O
InChIInChI=1S/C15H17BrO2/c1-9-7-15(5-4-13(9)17)8-10-2-3-11(16)6-12(10)14(15)18/h2-3,6,9,13,17H,4-5,7-8H2,1H3
InChIKeyJAWWZQXZQNZZNY-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.36
Rot. Bonds

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

6-bromo-4'-hydroxy-3'-methylspiro[3H-indene-2,1'-cyclohexane]-1-one (PubChem CID 78160991) has the molecular formula C15H17BrO2 and a molecular weight of 309.20 g/mol. Its IUPAC name is 6-bromo-4'-hydroxy-3'-methylspiro[3H-indene-2,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name6-bromo-4'-hydroxy-3'-methylspiro[3H-indene-2,1'-cyclohexane]-1-one
PubChem CID78160991
Molecular FormulaC15H17BrO2
Molecular Weight309.20 g/mol
Exact Mass308.04
IUPAC Name6-bromo-4'-hydroxy-3'-methylspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCC1CC2(CCC1O)Cc1ccc(Br)cc1C2=O
InChIInChI=1S/C15H17BrO2/c1-9-7-15(5-4-13(9)17)8-10-2-3-11(16)6-12(10)14(15)18/h2-3,6,9,13,17H,4-5,7-8H2,1H3
InChIKeyJAWWZQXZQNZZNY-UHFFFAOYSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2'-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 71727953
6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
CID 78160893
(2S,2'S)-6-bromo-2'-ethylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 121276859
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
(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
6'-bromospiro[1,2,5,6,8,9-hexahydrobenzo[7]annulene-7,2'-3H-indene]-1'-one
CID 66584883
4-bromo-4'-methylspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,1'-cyclohexane]-7-one
CID 129192979
4'-hydroxy-6-(trifluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-one
CID 70219036
5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one
CID 155929540
4'-hydroxy-6-(2-methylpropoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one
CID 67979380

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4'-hydroxy-3'-methylspiro[3H-indene-2,1'-cyclohexane]-1-one?
The IUPAC name of 6-bromo-4'-hydroxy-3'-methylspiro[3H-indene-2,1'-cyclohexane]-1-one (CID 78160991) is 6-bromo-4'-hydroxy-3'-methylspiro[3H-indene-2,1'-cyclohexane]-1-one.
What is the SMILES notation for 6-bromo-4'-hydroxy-3'-methylspiro[3H-indene-2,1'-cyclohexane]-1-one?
The canonical SMILES for 6-bromo-4'-hydroxy-3'-methylspiro[3H-indene-2,1'-cyclohexane]-1-one is CC1CC2(CCC1O)Cc1ccc(Br)cc1C2=O.
What is the InChIKey of 6-bromo-4'-hydroxy-3'-methylspiro[3H-indene-2,1'-cyclohexane]-1-one?
The InChIKey is JAWWZQXZQNZZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2/c1-9-7-15(5-4-13(9)17)8-10-2-3-11(16)6-12(10)14(15)18/h2-3,6,9,13,17H,4-5,7-8H2,1H3.
What are the key properties of 6-bromo-4'-hydroxy-3'-methylspiro[3H-indene-2,1'-cyclohexane]-1-one?
6-bromo-4'-hydroxy-3'-methylspiro[3H-indene-2,1'-cyclohexane]-1-one has a molecular weight of 309.20 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4'-hydroxy-3'-methylspiro[3H-indene-2,1'-cyclohexane]-1-one is sourced from PubChem (CID 78160991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).