actinium;3-(2-hydroxy-5,5-diphenylpentyl)-1-benzofuran-7-ol

C25H24Ac2O3 — CID 20708355

IUPACactinium;3-(2-hydroxy-5,5-diphenylpentyl)-1-benzofuran-7-ol
SMILESOc1cccc2c(CC(O)CCC(c3ccccc3)c3ccccc3)coc12.[Ac].[Ac]
InChIInChI=1S/C25H24O3.2Ac/c26-21(16-20-17-28-25-23(20)12-7-13-24(25)27)14-15-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19;;/h1-13,17,21-22,26-27H,14-16H2;;
InChIKeyVDNKPCDJOCYXPC-UHFFFAOYSA-N
MW826.46 g/mol
LogP5.65
Rot. Bonds7

About actinium;3-(2-hydroxy-5,5-diphenylpentyl)-1-benzofuran-7-ol

actinium;3-(2-hydroxy-5,5-diphenylpentyl)-1-benzofuran-7-ol (PubChem CID 20708355) has the molecular formula C25H24Ac2O3 and a molecular weight of 826.46 g/mol. Its IUPAC name is actinium;3-(2-hydroxy-5,5-diphenylpentyl)-1-benzofuran-7-ol.

Molecular Properties

Compound Nameactinium;3-(2-hydroxy-5,5-diphenylpentyl)-1-benzofuran-7-ol
PubChem CID20708355
Molecular FormulaC25H24Ac2O3
Molecular Weight826.46 g/mol
Exact Mass826.23
IUPAC Nameactinium;3-(2-hydroxy-5,5-diphenylpentyl)-1-benzofuran-7-ol
SMILESOc1cccc2c(CC(O)CCC(c3ccccc3)c3ccccc3)coc12.[Ac].[Ac]
InChIInChI=1S/C25H24O3.2Ac/c26-21(16-20-17-28-25-23(20)12-7-13-24(25)27)14-15-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19;;/h1-13,17,21-22,26-27H,14-16H2;;
InChIKeyVDNKPCDJOCYXPC-UHFFFAOYSA-N
XLogP5.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.46
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(1-benzofuran-3-yl)propan-2-ol
CID 116859204
3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol
CID 84696625
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol
CID 117181099
3-(methylsulfonylmethyl)-1-benzofuran-7-ol
CID 117181008
6,6-diphenylhexan-3-ol
CID 57258566
2-[[3-[2-(3,3-diphenylpropoxy)ethyl]-1-benzofuran-7-yl]oxy]acetate
CID 18351568
1,4,4-triphenylbutan-1-ol
CID 141326006
2-[[3-[2-(3,3-diphenylpropoxysulfinylamino)ethyl]-1-benzofuran-7-yl]oxy]acetic acid
CID 20708312
3-(2,2-diphenylethyl)benzene-1,2-diol
CID 141315121
5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol
CID 105091563
1,6-diphenylhexane-2,5-diol
CID 15072586
2-[[3-[3-(2,2-diphenylethylsulfanyl)propyl]-1-benzofuran-7-yl]oxy]acetic acid
CID 11201693

Frequently Asked Questions

What is the IUPAC name of actinium;3-(2-hydroxy-5,5-diphenylpentyl)-1-benzofuran-7-ol?
The IUPAC name of actinium;3-(2-hydroxy-5,5-diphenylpentyl)-1-benzofuran-7-ol (CID 20708355) is actinium;3-(2-hydroxy-5,5-diphenylpentyl)-1-benzofuran-7-ol.
What is the SMILES notation for actinium;3-(2-hydroxy-5,5-diphenylpentyl)-1-benzofuran-7-ol?
The canonical SMILES for actinium;3-(2-hydroxy-5,5-diphenylpentyl)-1-benzofuran-7-ol is Oc1cccc2c(CC(O)CCC(c3ccccc3)c3ccccc3)coc12.[Ac].[Ac].
What is the InChIKey of actinium;3-(2-hydroxy-5,5-diphenylpentyl)-1-benzofuran-7-ol?
The InChIKey is VDNKPCDJOCYXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O3.2Ac/c26-21(16-20-17-28-25-23(20)12-7-13-24(25)27)14-15-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19;;/h1-13,17,21-22,26-27H,14-16H2;;.
What are the key properties of actinium;3-(2-hydroxy-5,5-diphenylpentyl)-1-benzofuran-7-ol?
actinium;3-(2-hydroxy-5,5-diphenylpentyl)-1-benzofuran-7-ol has a molecular weight of 826.46 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;3-(2-hydroxy-5,5-diphenylpentyl)-1-benzofuran-7-ol is sourced from PubChem (CID 20708355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).