(1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one

C24H20O — CID 11616801

IUPAC(1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one
SMILESO=C1c2ccccc2C[C@@]12Cc1ccccc1[C@H]2Cc1ccccc1
InChIInChI=1S/C24H20O/c25-23-21-13-7-5-11-19(21)16-24(23)15-18-10-4-6-12-20(18)22(24)14-17-8-2-1-3-9-17/h1-13,22H,14-16H2/t22-,24-/m1/s1
InChIKeyWNWMXSDMMDPICV-ISKFKSNPSA-N
MW324.42 g/mol
LogP4.99
Rot. Bonds2

About (1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one

(1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one (PubChem CID 11616801) has the molecular formula C24H20O and a molecular weight of 324.42 g/mol. Its IUPAC name is (1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one.

Molecular Properties

Compound Name(1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one
PubChem CID11616801
Molecular FormulaC24H20O
Molecular Weight324.42 g/mol
Exact Mass324.15
IUPAC Name(1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one
SMILESO=C1c2ccccc2C[C@@]12Cc1ccccc1[C@H]2Cc1ccccc1
InChIInChI=1S/C24H20O/c25-23-21-13-7-5-11-19(21)16-24(23)15-18-10-4-6-12-20(18)22(24)14-17-8-2-1-3-9-17/h1-13,22H,14-16H2/t22-,24-/m1/s1
InChIKeyWNWMXSDMMDPICV-ISKFKSNPSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-2,2-dimethyl-3H-inden-1-one
CID 177395573
(2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473558
(2S,2'R)-2'-(4-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473555
(2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid
CID 124813760
1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
CID 10613541
2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one
CID 11107385
3-benzyl-3,4-dihydroisochromen-1-one
CID 10728624
(2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473560
2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one
CID 11737107
(2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one
CID 90923684
(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one
CID 736601
3-benzyl-3H-2-benzothiophen-1-one
CID 56970906

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one?
The IUPAC name of (1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one (CID 11616801) is (1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one.
What is the SMILES notation for (1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one?
The canonical SMILES for (1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one is O=C1c2ccccc2C[C@@]12Cc1ccccc1[C@H]2Cc1ccccc1.
What is the InChIKey of (1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one?
The InChIKey is WNWMXSDMMDPICV-ISKFKSNPSA-N. The full InChI is InChI=1S/C24H20O/c25-23-21-13-7-5-11-19(21)16-24(23)15-18-10-4-6-12-20(18)22(24)14-17-8-2-1-3-9-17/h1-13,22H,14-16H2/t22-,24-/m1/s1.
What are the key properties of (1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one?
(1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one has a molecular weight of 324.42 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one is sourced from PubChem (CID 11616801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).