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

C70H77BrK2O12 — CID 158938704

IUPACdipotassium;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
SMILESC=CCBr.C=CCOc1ccc(Oc2ccc(OCC=C)c(CC=C)c2)cc1CC=C.C=CCc1cc(Oc2cc(CC=C)c(O)c(CC=C)c2)cc(CC=C)c1O.C=CCc1cc(Oc2ccc(O)c(CC=C)c2)ccc1O.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/2C24H26O3.C18H18O3.C3H5Br.CH2O3.2K.H/c1-5-9-19-17-21(11-13-23(19)25-15-7-3)27-22-12-14-24(26-16-8-4)20(18-22)10-6-2;1-5-9-17-13-21(14-18(10-6-2)23(17)25)27-22-15-19(11-7-3)24(26)20(16-22)12-8-4;1-3-5-13-11-15(7-9-17(13)19)21-16-8-10-18(20)14(12-16)6-4-2;1-2-3-4;2-1-4-3;;;/h5-8,11-14,17-18H,1-4,9-10,15-16H2;5-8,13-16,25-26H,1-4,9-12H2;3-4,7-12,19-20H,1-2,5-6H2;2H,1,3H2;1,3H;;;/q;;;;;2*+1;-1/p-1
InChIKeyBOUWYNAUHOCGPV-UHFFFAOYSA-M
MW1268.47 g/mol
LogP10.34
Rot. Bonds30

About 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

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 (PubChem CID 158938704) has the molecular formula C70H77BrK2O12 and a molecular weight of 1268.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedipotassium;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
PubChem CID158938704
Molecular FormulaC70H77BrK2O12
Molecular Weight1268.47 g/mol
Exact Mass1266.39
IUPAC Namedipotassium;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
SMILESC=CCBr.C=CCOc1ccc(Oc2ccc(OCC=C)c(CC=C)c2)cc1CC=C.C=CCc1cc(Oc2cc(CC=C)c(O)c(CC=C)c2)cc(CC=C)c1O.C=CCc1cc(Oc2ccc(O)c(CC=C)c2)ccc1O.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/2C24H26O3.C18H18O3.C3H5Br.CH2O3.2K.H/c1-5-9-19-17-21(11-13-23(19)25-15-7-3)27-22-12-14-24(26-16-8-4)20(18-22)10-6-2;1-5-9-17-13-21(14-18(10-6-2)23(17)25)27-22-15-19(11-7-3)24(26)20(16-22)12-8-4;1-3-5-13-11-15(7-9-17(13)19)21-16-8-10-18(20)14(12-16)6-4-2;1-2-3-4;2-1-4-3;;;/h5-8,11-14,17-18H,1-4,9-10,15-16H2;5-8,13-16,25-26H,1-4,9-12H2;3-4,7-12,19-20H,1-2,5-6H2;2H,1,3H2;1,3H;;;/q;;;;;2*+1;-1/p-1
InChIKeyBOUWYNAUHOCGPV-UHFFFAOYSA-M
XLogP10.34
TPSA176.43 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001268.47
LogP ≤ 510.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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;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 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;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-prop-2-enoxy-2-prop-2-enylphenol
CID 45091477
4-[4-hydroxy-3-[(4-hydroxy-3-prop-2-enylphenyl)methyl]phenoxy]-2-[(4-hydroxyphenyl)methyl]-6-prop-2-enylphenol
CID 57028938
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
4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 24770219
phenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol
CID 157279728
1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 144777892
trimethyl-[2-prop-2-enyl-4-(3-prop-2-enyl-4-trimethylsilyloxyphenoxy)phenoxy]silane
CID 123927676
(2-hydroxy-5-prop-2-enoxyphenyl)methylazanium acetate
CID 154662720
4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 22261130
4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane
CID 142194063

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCBr.C=CCOc1ccc(Oc2ccc(OCC=C)c(CC=C)c2)cc1CC=C.C=CCc1cc(Oc2cc(CC=C)c(O)c(CC=C)c2)cc(CC=C)c1O.C=CCc1cc(Oc2ccc(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-3,5-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?
The InChIKey is BOUWYNAUHOCGPV-UHFFFAOYSA-M. The full InChI is InChI=1S/2C24H26O3.C18H18O3.C3H5Br.CH2O3.2K.H/c1-5-9-19-17-21(11-13-23(19)25-15-7-3)27-22-12-14-24(26-16-8-4)20(18-22)10-6-2;1-5-9-17-13-21(14-18(10-6-2)23(17)25)27-22-15-19(11-7-3)24(26)20(16-22)12-8-4;1-3-5-13-11-15(7-9-17(13)19)21-16-8-10-18(20)14(12-16)6-4-2;1-2-3-4;2-1-4-3;;;/h5-8,11-14,17-18H,1-4,9-10,15-16H2;5-8,13-16,25-26H,1-4,9-12H2;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-3,5-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?
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 has a molecular weight of 1268.47 g/mol, XLogP of 10.34, 30 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158938704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).