4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one

C15H14O3 — CID 90475437

IUPAC4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one
SMILESCOc1cc(O)c2c(c1)CCC21C=CC(=O)C=C1
InChIInChI=1S/C15H14O3/c1-18-12-8-10-2-5-15(14(10)13(17)9-12)6-3-11(16)4-7-15/h3-4,6-9,17H,2,5H2,1H3
InChIKeyLYSXDJPKAGMDNO-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.28
Rot. Bonds1

About 4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one

4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one (PubChem CID 90475437) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one.

Molecular Properties

Compound Name4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one
PubChem CID90475437
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one
SMILESCOc1cc(O)c2c(c1)CCC21C=CC(=O)C=C1
InChIInChI=1S/C15H14O3/c1-18-12-8-10-2-5-15(14(10)13(17)9-12)6-3-11(16)4-7-15/h3-4,6-9,17H,2,5H2,1H3
InChIKeyLYSXDJPKAGMDNO-UHFFFAOYSA-N
XLogP2.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one?
The IUPAC name of 4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one (CID 90475437) is 4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one.
What is the SMILES notation for 4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one?
The canonical SMILES for 4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one is COc1cc(O)c2c(c1)CCC21C=CC(=O)C=C1.
What is the InChIKey of 4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one?
The InChIKey is LYSXDJPKAGMDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-18-12-8-10-2-5-15(14(10)13(17)9-12)6-3-11(16)4-7-15/h3-4,6-9,17H,2,5H2,1H3.
What are the key properties of 4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one?
4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one has a molecular weight of 242.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one is sourced from PubChem (CID 90475437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).