4,6-dihydroxy-5-phenylspiro[1,2-dihydroindene-3,3'-cyclohexane]-1'-one

C20H20O3 — CID 122396113

IUPAC4,6-dihydroxy-5-phenylspiro[1,2-dihydroindene-3,3'-cyclohexane]-1'-one
SMILESO=C1CCCC2(CCc3cc(O)c(-c4ccccc4)c(O)c32)C1
InChIInChI=1S/C20H20O3/c21-15-7-4-9-20(12-15)10-8-14-11-16(22)17(19(23)18(14)20)13-5-2-1-3-6-13/h1-3,5-6,11,22-23H,4,7-10,12H2
InChIKeyJNYLQBYGWXONHC-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.09
Rot. Bonds1

About 4,6-dihydroxy-5-phenylspiro[1,2-dihydroindene-3,3'-cyclohexane]-1'-one

4,6-dihydroxy-5-phenylspiro[1,2-dihydroindene-3,3'-cyclohexane]-1'-one (PubChem CID 122396113) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4,6-dihydroxy-5-phenylspiro[1,2-dihydroindene-3,3'-cyclohexane]-1'-one.

Molecular Properties

Compound Name4,6-dihydroxy-5-phenylspiro[1,2-dihydroindene-3,3'-cyclohexane]-1'-one
PubChem CID122396113
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name4,6-dihydroxy-5-phenylspiro[1,2-dihydroindene-3,3'-cyclohexane]-1'-one
SMILESO=C1CCCC2(CCc3cc(O)c(-c4ccccc4)c(O)c32)C1
InChIInChI=1S/C20H20O3/c21-15-7-4-9-20(12-15)10-8-14-11-16(22)17(19(23)18(14)20)13-5-2-1-3-6-13/h1-3,5-6,11,22-23H,4,7-10,12H2
InChIKeyJNYLQBYGWXONHC-UHFFFAOYSA-N
XLogP4.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dihydroxy-5-phenylspiro[1,2-dihydroindene-3,3'-cyclohexane]-1'-one?
The IUPAC name of 4,6-dihydroxy-5-phenylspiro[1,2-dihydroindene-3,3'-cyclohexane]-1'-one (CID 122396113) is 4,6-dihydroxy-5-phenylspiro[1,2-dihydroindene-3,3'-cyclohexane]-1'-one.
What is the SMILES notation for 4,6-dihydroxy-5-phenylspiro[1,2-dihydroindene-3,3'-cyclohexane]-1'-one?
The canonical SMILES for 4,6-dihydroxy-5-phenylspiro[1,2-dihydroindene-3,3'-cyclohexane]-1'-one is O=C1CCCC2(CCc3cc(O)c(-c4ccccc4)c(O)c32)C1.
What is the InChIKey of 4,6-dihydroxy-5-phenylspiro[1,2-dihydroindene-3,3'-cyclohexane]-1'-one?
The InChIKey is JNYLQBYGWXONHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c21-15-7-4-9-20(12-15)10-8-14-11-16(22)17(19(23)18(14)20)13-5-2-1-3-6-13/h1-3,5-6,11,22-23H,4,7-10,12H2.
What are the key properties of 4,6-dihydroxy-5-phenylspiro[1,2-dihydroindene-3,3'-cyclohexane]-1'-one?
4,6-dihydroxy-5-phenylspiro[1,2-dihydroindene-3,3'-cyclohexane]-1'-one has a molecular weight of 308.38 g/mol, XLogP of 4.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydroxy-5-phenylspiro[1,2-dihydroindene-3,3'-cyclohexane]-1'-one is sourced from PubChem (CID 122396113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).