5-(4-ethenylphenyl)-4-[1-(4-ethenylphenyl)-5-hydroxypentan-2-yl]oxypentan-1-ol

C26H34O3 — CID 68974279

IUPAC5-(4-ethenylphenyl)-4-[1-(4-ethenylphenyl)-5-hydroxypentan-2-yl]oxypentan-1-ol
SMILESC=Cc1ccc(CC(CCCO)OC(CCCO)Cc2ccc(C=C)cc2)cc1
InChIInChI=1S/C26H34O3/c1-3-21-9-13-23(14-10-21)19-25(7-5-17-27)29-26(8-6-18-28)20-24-15-11-22(4-2)12-16-24/h3-4,9-16,25-28H,1-2,5-8,17-20H2
InChIKeyLTDVTYBKPUGGRN-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.06
Rot. Bonds14

About 5-(4-ethenylphenyl)-4-[1-(4-ethenylphenyl)-5-hydroxypentan-2-yl]oxypentan-1-ol

5-(4-ethenylphenyl)-4-[1-(4-ethenylphenyl)-5-hydroxypentan-2-yl]oxypentan-1-ol (PubChem CID 68974279) has the molecular formula C26H34O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is 5-(4-ethenylphenyl)-4-[1-(4-ethenylphenyl)-5-hydroxypentan-2-yl]oxypentan-1-ol.

Molecular Properties

Compound Name5-(4-ethenylphenyl)-4-[1-(4-ethenylphenyl)-5-hydroxypentan-2-yl]oxypentan-1-ol
PubChem CID68974279
Molecular FormulaC26H34O3
Molecular Weight394.56 g/mol
Exact Mass394.25
IUPAC Name5-(4-ethenylphenyl)-4-[1-(4-ethenylphenyl)-5-hydroxypentan-2-yl]oxypentan-1-ol
SMILESC=Cc1ccc(CC(CCCO)OC(CCCO)Cc2ccc(C=C)cc2)cc1
InChIInChI=1S/C26H34O3/c1-3-21-9-13-23(14-10-21)19-25(7-5-17-27)29-26(8-6-18-28)20-24-15-11-22(4-2)12-16-24/h3-4,9-16,25-28H,1-2,5-8,17-20H2
InChIKeyLTDVTYBKPUGGRN-UHFFFAOYSA-N
XLogP5.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethenylphenyl)ethane-1,1-diol
CID 166912920
tributyl-[(4-ethenylphenyl)methyl]phosphanium bromide
CID 22119369
4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol
CID 166781663
1-[2-(dimethylamino)-3-(4-ethenylphenyl)propoxy]-3-(4-ethenylphenyl)-N,N-dimethylpropan-2-amine
CID 67344388
1-ethenyl-4-(2-methylbutyl)benzene
CID 22475803
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 163543719
2-[(4-ethenylphenyl)methoxy]propan-1-ol
CID 21035602
tert-butyl(dimethyl)silane;(4-ethenylphenyl)methanol
CID 175113696
2-[2-(4-ethenylphenyl)-1-[2-(4-ethenylphenyl)-1-(oxetan-2-yl)ethoxy]ethyl]oxetane
CID 69220940
1-ethenyl-4-[4-[3-(4-ethenylphenyl)-1-hydroperoxypropyl]phenyl]benzene
CID 87066495

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenylphenyl)-4-[1-(4-ethenylphenyl)-5-hydroxypentan-2-yl]oxypentan-1-ol?
The IUPAC name of 5-(4-ethenylphenyl)-4-[1-(4-ethenylphenyl)-5-hydroxypentan-2-yl]oxypentan-1-ol (CID 68974279) is 5-(4-ethenylphenyl)-4-[1-(4-ethenylphenyl)-5-hydroxypentan-2-yl]oxypentan-1-ol.
What is the SMILES notation for 5-(4-ethenylphenyl)-4-[1-(4-ethenylphenyl)-5-hydroxypentan-2-yl]oxypentan-1-ol?
The canonical SMILES for 5-(4-ethenylphenyl)-4-[1-(4-ethenylphenyl)-5-hydroxypentan-2-yl]oxypentan-1-ol is C=Cc1ccc(CC(CCCO)OC(CCCO)Cc2ccc(C=C)cc2)cc1.
What is the InChIKey of 5-(4-ethenylphenyl)-4-[1-(4-ethenylphenyl)-5-hydroxypentan-2-yl]oxypentan-1-ol?
The InChIKey is LTDVTYBKPUGGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O3/c1-3-21-9-13-23(14-10-21)19-25(7-5-17-27)29-26(8-6-18-28)20-24-15-11-22(4-2)12-16-24/h3-4,9-16,25-28H,1-2,5-8,17-20H2.
What are the key properties of 5-(4-ethenylphenyl)-4-[1-(4-ethenylphenyl)-5-hydroxypentan-2-yl]oxypentan-1-ol?
5-(4-ethenylphenyl)-4-[1-(4-ethenylphenyl)-5-hydroxypentan-2-yl]oxypentan-1-ol has a molecular weight of 394.56 g/mol, XLogP of 5.06, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenylphenyl)-4-[1-(4-ethenylphenyl)-5-hydroxypentan-2-yl]oxypentan-1-ol is sourced from PubChem (CID 68974279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).