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

C82H71BrF24K2O11 — CID 159169502

IUPACdipotassium;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
SMILESC=CCBr.C=CCOc1ccc(C(c2ccc(OCC=C)cc2)(C(F)(F)F)C(F)(F)F)cc1.C=CCOc1ccc(C(c2ccc(OCC=C)cc2)(C(F)(F)F)C(F)(F)F)cc1.C=CCc1cc(C(c2ccc(O)c(CC=C)c2)(C(F)(F)F)C(F)(F)F)ccc1O.O=CO[O-].Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.[H-].[K+].[K+]
InChIInChI=1S/3C21H18F6O2.C15H10F6O2.C3H5Br.CH2O3.2K.H/c2*1-3-13-28-17-9-5-15(6-10-17)19(20(22,23)24,21(25,26)27)16-7-11-18(12-8-16)29-14-4-2;1-3-5-13-11-15(7-9-17(13)28)19(20(22,23)24,21(25,26)27)16-8-10-18(29)14(12-16)6-4-2;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;1-2-3-4;2-1-4-3;;;/h2*3-12H,1-2,13-14H2;3-4,7-12,28-29H,1-2,5-6H2;1-8,22-23H;2H,1,3H2;1,3H;;;/q;;;;;;2*+1;-1/p-1
InChIKeyOMXMOAPOZRBDIV-UHFFFAOYSA-M
MW1846.51 g/mol
LogP17.05
Rot. Bonds26

About 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

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 (PubChem CID 159169502) has the molecular formula C82H71BrF24K2O11 and a molecular weight of 1846.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedipotassium;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
PubChem CID159169502
Molecular FormulaC82H71BrF24K2O11
Molecular Weight1846.51 g/mol
Exact Mass1844.31
IUPAC Namedipotassium;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
SMILESC=CCBr.C=CCOc1ccc(C(c2ccc(OCC=C)cc2)(C(F)(F)F)C(F)(F)F)cc1.C=CCOc1ccc(C(c2ccc(OCC=C)cc2)(C(F)(F)F)C(F)(F)F)cc1.C=CCc1cc(C(c2ccc(O)c(CC=C)c2)(C(F)(F)F)C(F)(F)F)ccc1O.O=CO[O-].Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.[H-].[K+].[K+]
InChIInChI=1S/3C21H18F6O2.C15H10F6O2.C3H5Br.CH2O3.2K.H/c2*1-3-13-28-17-9-5-15(6-10-17)19(20(22,23)24,21(25,26)27)16-7-11-18(12-8-16)29-14-4-2;1-3-5-13-11-15(7-9-17(13)28)19(20(22,23)24,21(25,26)27)16-8-10-18(29)14(12-16)6-4-2;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;1-2-3-4;2-1-4-3;;;/h2*3-12H,1-2,13-14H2;3-4,7-12,28-29H,1-2,5-6H2;1-8,22-23H;2H,1,3H2;1,3H;;;/q;;;;;;2*+1;-1/p-1
InChIKeyOMXMOAPOZRBDIV-UHFFFAOYSA-M
XLogP17.05
TPSA167.20 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001846.51
LogP ≤ 517.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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'}

Analyze 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 with MolForge

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Related Compounds

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
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
4-prop-2-enoxy-2-prop-2-enylphenol
CID 45091477
4-[2-[4-(3-chloroprop-2-enoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol
CID 139671950
4-(4-hydroxyphenyl)-2-prop-2-enylphenol
CID 70597664
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
3-[4-[2-[4-(2,3-dihydroxypropoxy)-3-prop-2-enylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-prop-2-enylphenoxy]propane-1,2-diol
CID 87077001
4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol
CID 14121742
4-[2-(3-ethyl-4-propoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol
CID 146602764
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
phenol;4-prop-2-enoxyphenol
CID 70303777
4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane;4-[(4-hydroxy-3-prop-2-enylphenyl)methyl]-2-prop-2-enylphenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]oxirane;2-[4-[2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane
CID 159005156

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCBr.C=CCOc1ccc(C(c2ccc(OCC=C)cc2)(C(F)(F)F)C(F)(F)F)cc1.C=CCOc1ccc(C(c2ccc(OCC=C)cc2)(C(F)(F)F)C(F)(F)F)cc1.C=CCc1cc(C(c2ccc(O)c(CC=C)c2)(C(F)(F)F)C(F)(F)F)ccc1O.O=CO[O-].Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.[H-].[K+].[K+].
What is the InChIKey of 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?
The InChIKey is OMXMOAPOZRBDIV-UHFFFAOYSA-M. The full InChI is InChI=1S/3C21H18F6O2.C15H10F6O2.C3H5Br.CH2O3.2K.H/c2*1-3-13-28-17-9-5-15(6-10-17)19(20(22,23)24,21(25,26)27)16-7-11-18(12-8-16)29-14-4-2;1-3-5-13-11-15(7-9-17(13)28)19(20(22,23)24,21(25,26)27)16-8-10-18(29)14(12-16)6-4-2;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;1-2-3-4;2-1-4-3;;;/h2*3-12H,1-2,13-14H2;3-4,7-12,28-29H,1-2,5-6H2;1-8,22-23H;2H,1,3H2;1,3H;;;/q;;;;;;2*+1;-1/p-1.
What are the key properties of 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?
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 has a molecular weight of 1846.51 g/mol, XLogP of 17.05, 26 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159169502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).