2-[(1S,2S)-2-benzyl-1-hydroxy-1,3-dihydroinden-2-yl]-1H-inden-1-ol

C25H22O2 — CID 118073293

IUPAC2-[(1S,2S)-2-benzyl-1-hydroxy-1,3-dihydroinden-2-yl]-1H-inden-1-ol
SMILESOC1C([C@]2(Cc3ccccc3)Cc3ccccc3[C@H]2O)=Cc2ccccc21
InChIInChI=1S/C25H22O2/c26-23-20-12-6-4-10-18(20)14-22(23)25(15-17-8-2-1-3-9-17)16-19-11-5-7-13-21(19)24(25)27/h1-14,23-24,26-27H,15-16H2/t23?,24-,25+/m1/s1
InChIKeyKNLMYVTXBOLCKN-ZQWZXOJDSA-N
MW354.45 g/mol
LogP4.64
Rot. Bonds3

About 2-[(1S,2S)-2-benzyl-1-hydroxy-1,3-dihydroinden-2-yl]-1H-inden-1-ol

2-[(1S,2S)-2-benzyl-1-hydroxy-1,3-dihydroinden-2-yl]-1H-inden-1-ol (PubChem CID 118073293) has the molecular formula C25H22O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[(1S,2S)-2-benzyl-1-hydroxy-1,3-dihydroinden-2-yl]-1H-inden-1-ol.

Molecular Properties

Compound Name2-[(1S,2S)-2-benzyl-1-hydroxy-1,3-dihydroinden-2-yl]-1H-inden-1-ol
PubChem CID118073293
Molecular FormulaC25H22O2
Molecular Weight354.45 g/mol
Exact Mass354.16
IUPAC Name2-[(1S,2S)-2-benzyl-1-hydroxy-1,3-dihydroinden-2-yl]-1H-inden-1-ol
SMILESOC1C([C@]2(Cc3ccccc3)Cc3ccccc3[C@H]2O)=Cc2ccccc21
InChIInChI=1S/C25H22O2/c26-23-20-12-6-4-10-18(20)14-22(23)25(15-17-8-2-1-3-9-17)16-19-11-5-7-13-21(19)24(25)27/h1-14,23-24,26-27H,15-16H2/t23?,24-,25+/m1/s1
InChIKeyKNLMYVTXBOLCKN-ZQWZXOJDSA-N
XLogP4.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-2-(2,3-dihydro-1H-inden-1-yl)-1,3-dihydroinden-1-ol
CID 18368438
4-[[(1S,2S)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]-N-methylbenzamide
CID 71240732
3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol
CID 102338667
spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ol
CID 13300016
2,2-dimethyl-1,3-dihydroinden-1-ol;ethane
CID 162431044
CID 102466561
CID 102466561
3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol
CID 10728752
spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-ol
CID 21433631
(2S)-2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-9-carbonitrile
CID 129391328
4-[[(1R,2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzoic acid
CID 86716158
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone
CID 23248
spiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol
CID 2752895

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-benzyl-1-hydroxy-1,3-dihydroinden-2-yl]-1H-inden-1-ol?
The IUPAC name of 2-[(1S,2S)-2-benzyl-1-hydroxy-1,3-dihydroinden-2-yl]-1H-inden-1-ol (CID 118073293) is 2-[(1S,2S)-2-benzyl-1-hydroxy-1,3-dihydroinden-2-yl]-1H-inden-1-ol.
What is the SMILES notation for 2-[(1S,2S)-2-benzyl-1-hydroxy-1,3-dihydroinden-2-yl]-1H-inden-1-ol?
The canonical SMILES for 2-[(1S,2S)-2-benzyl-1-hydroxy-1,3-dihydroinden-2-yl]-1H-inden-1-ol is OC1C([C@]2(Cc3ccccc3)Cc3ccccc3[C@H]2O)=Cc2ccccc21.
What is the InChIKey of 2-[(1S,2S)-2-benzyl-1-hydroxy-1,3-dihydroinden-2-yl]-1H-inden-1-ol?
The InChIKey is KNLMYVTXBOLCKN-ZQWZXOJDSA-N. The full InChI is InChI=1S/C25H22O2/c26-23-20-12-6-4-10-18(20)14-22(23)25(15-17-8-2-1-3-9-17)16-19-11-5-7-13-21(19)24(25)27/h1-14,23-24,26-27H,15-16H2/t23?,24-,25+/m1/s1.
What are the key properties of 2-[(1S,2S)-2-benzyl-1-hydroxy-1,3-dihydroinden-2-yl]-1H-inden-1-ol?
2-[(1S,2S)-2-benzyl-1-hydroxy-1,3-dihydroinden-2-yl]-1H-inden-1-ol has a molecular weight of 354.45 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-benzyl-1-hydroxy-1,3-dihydroinden-2-yl]-1H-inden-1-ol is sourced from PubChem (CID 118073293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).