2'-bromo-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-one

C15H15BrO2 — CID 164583447

IUPAC2'-bromo-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-one
SMILESCOc1ccc2c(c1)C=C(Br)C21CCC(=O)CC1
InChIInChI=1S/C15H15BrO2/c1-18-12-2-3-13-10(8-12)9-14(16)15(13)6-4-11(17)5-7-15/h2-3,8-9H,4-7H2,1H3
InChIKeyGLRJZRCHBZNXBD-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.83
Rot. Bonds1

About 2'-bromo-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-one

2'-bromo-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-one (PubChem CID 164583447) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 2'-bromo-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-one.

Molecular Properties

Compound Name2'-bromo-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-one
PubChem CID164583447
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name2'-bromo-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-one
SMILESCOc1ccc2c(c1)C=C(Br)C21CCC(=O)CC1
InChIInChI=1S/C15H15BrO2/c1-18-12-2-3-13-10(8-12)9-14(16)15(13)6-4-11(17)5-7-15/h2-3,8-9H,4-7H2,1H3
InChIKeyGLRJZRCHBZNXBD-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2'-bromo-1-(3-chloroanilino)-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-carbonitrile
CID 164583581
(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one
CID 67359240
4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one
CID 71245096
CID 164582687
CID 164582687
3-[(2-bromo-5-methoxyphenyl)methyl]-3-methylcyclopentan-1-one
CID 116538441
1-bromo-4-methoxy-2-methylbenzene;1-(4-methoxy-2-methylphenyl)-4-(4-methoxyphenyl)cyclohexan-1-ol;4-(4-methoxyphenyl)cyclohexan-1-one
CID 157072904
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 161055612
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
3,6-dimethoxy-1,2-dihydronaphthalene
CID 13364263
1-(2,5-dimethoxyphenyl)-6,6-dimethylpiperidin-3-one
CID 117020960
4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one
CID 18180234

Frequently Asked Questions

What is the IUPAC name of 2'-bromo-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-one?
The IUPAC name of 2'-bromo-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-one (CID 164583447) is 2'-bromo-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-one.
What is the SMILES notation for 2'-bromo-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-one?
The canonical SMILES for 2'-bromo-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-one is COc1ccc2c(c1)C=C(Br)C21CCC(=O)CC1.
What is the InChIKey of 2'-bromo-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-one?
The InChIKey is GLRJZRCHBZNXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-18-12-2-3-13-10(8-12)9-14(16)15(13)6-4-11(17)5-7-15/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 2'-bromo-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-one?
2'-bromo-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-one has a molecular weight of 307.19 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromo-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-one is sourced from PubChem (CID 164583447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).