5-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one

C15H16O2 — CID 164583642

IUPAC5-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one
SMILESCOc1ccc2c(c1)C1(C=CC(=O)CC1)CC2
InChIInChI=1S/C15H16O2/c1-17-13-3-2-11-4-7-15(14(11)10-13)8-5-12(16)6-9-15/h2-3,5,8,10H,4,6-7,9H2,1H3
InChIKeyAQTYNGYDVMCGAH-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.80
Rot. Bonds1

About 5-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one

5-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one (PubChem CID 164583642) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one.

Molecular Properties

Compound Name5-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one
PubChem CID164583642
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name5-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one
SMILESCOc1ccc2c(c1)C1(C=CC(=O)CC1)CC2
InChIInChI=1S/C15H16O2/c1-17-13-3-2-11-4-7-15(14(11)10-13)8-5-12(16)6-9-15/h2-3,5,8,10H,4,6-7,9H2,1H3
InChIKeyAQTYNGYDVMCGAH-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one
CID 67359240
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine]
CID 124511846
7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-ol
CID 115010787
methyl 5-methoxy-2'-methylspiro[1,2-dihydroindene-3,3'-oxirane]-2'-carboxylate
CID 79368968
(1'R,3R)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 97048142
5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid
CID 105359776
(4aR)-6-methoxy-1,4a-dimethyl-3,4,9,10-tetrahydrophenanthren-2-one
CID 14865676
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70241546
3-methoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 13096425
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
CID 79375001

Frequently Asked Questions

What is the IUPAC name of 5-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one?
The IUPAC name of 5-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one (CID 164583642) is 5-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one.
What is the SMILES notation for 5-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one?
The canonical SMILES for 5-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one is COc1ccc2c(c1)C1(C=CC(=O)CC1)CC2.
What is the InChIKey of 5-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one?
The InChIKey is AQTYNGYDVMCGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-17-13-3-2-11-4-7-15(14(11)10-13)8-5-12(16)6-9-15/h2-3,5,8,10H,4,6-7,9H2,1H3.
What are the key properties of 5-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one?
5-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one has a molecular weight of 228.29 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one is sourced from PubChem (CID 164583642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).