dipotassium;3-bromoprop-1-ene;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-2-prop-2-enylbenzene

C46H51BrK2O7 — CID 160572583

IUPACdipotassium;3-bromoprop-1-ene;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-2-prop-2-enylbenzene
SMILESC=CCBr.C=CCOc1ccc(-c2ccc(OCC=C)c(CC=C)c2)cc1CC=C.C=CCc1cc(-c2ccc(O)c(CC=C)c2)ccc1O.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C24H26O2.C18H18O2.C3H5Br.CH2O3.2K.H/c1-5-9-21-17-19(11-13-23(21)25-15-7-3)20-12-14-24(26-16-8-4)22(18-20)10-6-2;1-3-5-15-11-13(7-9-17(15)19)14-8-10-18(20)16(12-14)6-4-2;1-2-3-4;2-1-4-3;;;/h5-8,11-14,17-18H,1-4,9-10,15-16H2;3-4,7-12,19-20H,1-2,5-6H2;2H,1,3H2;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyZUISSXMODFSYQK-UHFFFAOYSA-M
MW874.01 g/mol
LogP4.28
Rot. Bonds18

About dipotassium;3-bromoprop-1-ene;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-2-prop-2-enylbenzene

dipotassium;3-bromoprop-1-ene;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-2-prop-2-enylbenzene (PubChem CID 160572583) has the molecular formula C46H51BrK2O7 and a molecular weight of 874.01 g/mol. Its IUPAC name is dipotassium;3-bromoprop-1-ene;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-2-prop-2-enylbenzene.

Molecular Properties

Compound Namedipotassium;3-bromoprop-1-ene;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-2-prop-2-enylbenzene
PubChem CID160572583
Molecular FormulaC46H51BrK2O7
Molecular Weight874.01 g/mol
Exact Mass872.21
IUPAC Namedipotassium;3-bromoprop-1-ene;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-2-prop-2-enylbenzene
SMILESC=CCBr.C=CCOc1ccc(-c2ccc(OCC=C)c(CC=C)c2)cc1CC=C.C=CCc1cc(-c2ccc(O)c(CC=C)c2)ccc1O.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C24H26O2.C18H18O2.C3H5Br.CH2O3.2K.H/c1-5-9-21-17-19(11-13-23(21)25-15-7-3)20-12-14-24(26-16-8-4)22(18-20)10-6-2;1-3-5-15-11-13(7-9-17(15)19)14-8-10-18(20)16(12-14)6-4-2;1-2-3-4;2-1-4-3;;;/h5-8,11-14,17-18H,1-4,9-10,15-16H2;3-4,7-12,19-20H,1-2,5-6H2;2H,1,3H2;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyZUISSXMODFSYQK-UHFFFAOYSA-M
XLogP4.28
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500874.01
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

dipotassium;3-bromoprop-1-ene;hydride;4-[4-hydroxy-3,5-bis(prop-2-enyl)phenoxy]-2,6-bis(prop-2-enyl)phenol;4-(4-hydroxy-3-prop-2-enylphenoxy)-2-prop-2-enylphenol;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 158938704
dipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 162006186
dipotassium;3-bromoprop-1-ene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;bis(1-[1,1,1,3,3,3-hexafluoro-2-(4-prop-2-enoxyphenyl)propan-2-yl]-4-prop-2-enoxybenzene);hydride;oxido formate
CID 159169502
4-phenyl-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 155642904
4-(4-hydroxyphenyl)-2-prop-2-enylphenol
CID 70597664
4-prop-2-enoxy-2-prop-2-enylphenol
CID 45091477
4-(4-methoxyphenyl)-2-prop-2-enylphenol
CID 54757995
4-(2-methoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 11857938
3-prop-2-enoxy-4-prop-2-enylphenol
CID 14888956
methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate
CID 11241748
4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 155030696
4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 54756875

Frequently Asked Questions

What is the IUPAC name of dipotassium;3-bromoprop-1-ene;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-2-prop-2-enylbenzene?
The IUPAC name of dipotassium;3-bromoprop-1-ene;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-2-prop-2-enylbenzene (CID 160572583) is dipotassium;3-bromoprop-1-ene;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-2-prop-2-enylbenzene.
What is the SMILES notation for dipotassium;3-bromoprop-1-ene;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-2-prop-2-enylbenzene?
The canonical SMILES for dipotassium;3-bromoprop-1-ene;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-2-prop-2-enylbenzene is C=CCBr.C=CCOc1ccc(-c2ccc(OCC=C)c(CC=C)c2)cc1CC=C.C=CCc1cc(-c2ccc(O)c(CC=C)c2)ccc1O.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;3-bromoprop-1-ene;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-2-prop-2-enylbenzene?
The InChIKey is ZUISSXMODFSYQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H26O2.C18H18O2.C3H5Br.CH2O3.2K.H/c1-5-9-21-17-19(11-13-23(21)25-15-7-3)20-12-14-24(26-16-8-4)22(18-20)10-6-2;1-3-5-15-11-13(7-9-17(15)19)14-8-10-18(20)16(12-14)6-4-2;1-2-3-4;2-1-4-3;;;/h5-8,11-14,17-18H,1-4,9-10,15-16H2;3-4,7-12,19-20H,1-2,5-6H2;2H,1,3H2;1,3H;;;/q;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;3-bromoprop-1-ene;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-2-prop-2-enylbenzene?
dipotassium;3-bromoprop-1-ene;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-2-prop-2-enylbenzene has a molecular weight of 874.01 g/mol, XLogP of 4.28, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;3-bromoprop-1-ene;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-2-prop-2-enylbenzene is sourced from PubChem (CID 160572583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).