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

C15H15BrO2 — CID 175502076

IUPAC2'-bromo-3-methoxyspiro[cyclohexane-4,1'-indene]-1-one
SMILESCOC1CC(=O)CCC12C(Br)=Cc1ccccc12
InChIInChI=1S/C15H15BrO2/c1-18-14-9-11(17)6-7-15(14)12-5-3-2-4-10(12)8-13(15)16/h2-5,8,14H,6-7,9H2,1H3
InChIKeyGHFFHBSDBQSEFL-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.44
Rot. Bonds1

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

2'-bromo-3-methoxyspiro[cyclohexane-4,1'-indene]-1-one (PubChem CID 175502076) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 2'-bromo-3-methoxyspiro[cyclohexane-4,1'-indene]-1-one.

Molecular Properties

Compound Name2'-bromo-3-methoxyspiro[cyclohexane-4,1'-indene]-1-one
PubChem CID175502076
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name2'-bromo-3-methoxyspiro[cyclohexane-4,1'-indene]-1-one
SMILESCOC1CC(=O)CCC12C(Br)=Cc1ccccc12
InChIInChI=1S/C15H15BrO2/c1-18-14-9-11(17)6-7-15(14)12-5-3-2-4-10(12)8-13(15)16/h2-5,8,14H,6-7,9H2,1H3
InChIKeyGHFFHBSDBQSEFL-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2S)-2-methoxy-1-methyl-4-oxocyclohexane-1-carboxylic acid
CID 118663309
2'-bromo-2-chlorospiro[cyclohexane-4,1'-indene]-1-one
CID 175502046
2'-bromo-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-one
CID 164583447
3-methoxyspiro[3,4-dihydroisochromene-1,4'-cyclohexane]-1'-one
CID 138958425
1'-bromo-3-(3-chlorophenyl)-5-methoxyspiro[cyclohexane-4,3'-indole]-1,2'-dione
CID 141220685
(3'aS,5'aR,9'aR)-5'a-methoxyspiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-2,8'-dione
CID 146319555
(1R,2R,5R)-2-(2-methoxyphenyl)-2,5-dimethylbicyclo[3.2.1]octane-6,8-dione
CID 12757791
5,10b-dimethyl-2,4,4a,6-tetrahydro-1H-phenanthridin-3-one
CID 19960946
4-methoxy-4-phenylcyclohexan-1-one
CID 22492992
(3S,4S)-3-bromo-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
CID 132551590
4-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-one
CID 118904905
2-[(5aS,9aR)-4-methoxy-7-oxo-5a,6,8,9-tetrahydrodibenzofuran-9a-yl]acetonitrile
CID 11107980

Frequently Asked Questions

What is the IUPAC name of 2'-bromo-3-methoxyspiro[cyclohexane-4,1'-indene]-1-one?
The IUPAC name of 2'-bromo-3-methoxyspiro[cyclohexane-4,1'-indene]-1-one (CID 175502076) is 2'-bromo-3-methoxyspiro[cyclohexane-4,1'-indene]-1-one.
What is the SMILES notation for 2'-bromo-3-methoxyspiro[cyclohexane-4,1'-indene]-1-one?
The canonical SMILES for 2'-bromo-3-methoxyspiro[cyclohexane-4,1'-indene]-1-one is COC1CC(=O)CCC12C(Br)=Cc1ccccc12.
What is the InChIKey of 2'-bromo-3-methoxyspiro[cyclohexane-4,1'-indene]-1-one?
The InChIKey is GHFFHBSDBQSEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-18-14-9-11(17)6-7-15(14)12-5-3-2-4-10(12)8-13(15)16/h2-5,8,14H,6-7,9H2,1H3.
What are the key properties of 2'-bromo-3-methoxyspiro[cyclohexane-4,1'-indene]-1-one?
2'-bromo-3-methoxyspiro[cyclohexane-4,1'-indene]-1-one has a molecular weight of 307.19 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromo-3-methoxyspiro[cyclohexane-4,1'-indene]-1-one is sourced from PubChem (CID 175502076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).