4-[2,6-dibromo-4-(diethoxyphosphorylmethyl)phenoxy]-2-propan-2-ylphenol;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]methyl-methylphosphinic acid;[difluoro-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl]-methylphosphinic acid;dihydroxy-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethyl]-methylidene-λ5-phosphane;[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzoyl]amino]methyl-methylphosphinic acid;[(E)-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl-methylphosphinic acid;[(E)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid

C175H221Br4Cl2F2N2O37P9 — CID 157334242

IUPAC4-[2,6-dibromo-4-(diethoxyphosphorylmethyl)phenoxy]-2-propan-2-ylphenol;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]methyl-methylphosphinic acid;[difluoro-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl]-methylphosphinic acid;dihydroxy-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethyl]-methylidene-λ5-phosphane;[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzoyl]amino]methyl-methylphosphinic acid;[(E)-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl-methylphosphinic acid;[(E)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid
SMILESC=P(O)(O)CCc1cc(C)c(Oc2ccc(OC)c(C(C)C)c2)c(C)c1.CC(C)c1cc(Oc2c(Br)cc(CP(C)(=O)O)cc2Br)ccc1O.CC(C)c1cc(Oc2c(Cl)cc(NCP(C)(=O)O)cc2Cl)ccc1O.CCOP(=O)(Cc1cc(Br)c(Oc2ccc(O)c(C(C)C)c2)c(Br)c1)OCC.Cc1cc(/C=C/P(C)(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1.Cc1cc(/C=C/P(C)(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1.Cc1cc(C(=O)NCP(C)(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1.Cc1cc(CP(C)(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1.Cc1cc(OC(F)(F)P(C)(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C21H29O4P.C21H27O3P.C20H25Br2O5P.C20H25F2O4P.C20H26NO5P.C20H25O4P.C19H25O4P.C17H19Br2O4P.C17H20Cl2NO4P/c1-14(2)19-13-18(7-8-20(19)24-5)25-21-15(3)11-17(12-16(21)4)9-10-26(6,22)23;1-14(2)19-12-17(6-7-21(19)22)13-20-15(3)10-18(11-16(20)4)8-9-25(5,23)24;1-5-25-28(24,26-6-2)12-14-9-17(21)20(18(22)10-14)27-15-7-8-19(23)16(11-15)13(3)4;1-12(2)17-10-15(6-7-19(17)23)11-18-13(3)8-16(9-14(18)4)26-20(21,22)27(5,24)25;1-12(2)17-10-16(6-7-18(17)22)26-19-13(3)8-15(9-14(19)4)20(23)21-11-27(5,24)25;1-13(2)18-12-17(6-7-19(18)21)24-20-14(3)10-16(11-15(20)4)8-9-25(5,22)23;1-12(2)17-10-16(6-7-18(17)20)23-19-13(3)8-15(9-14(19)4)11-24(5,21)22;1-10(2)13-8-12(4-5-16(13)20)23-17-14(18)6-11(7-15(17)19)9-24(3,21)22;1-10(2)13-8-12(4-5-16(13)21)24-17-14(18)6-11(7-15(17)19)20-9-25(3,22)23/h7-8,11-14,22-23H,6,9-10H2,1-5H3;6-12,14,22H,13H2,1-5H3,(H,23,24);7-11,13,23H,5-6,12H2,1-4H3;6-10,12,23H,11H2,1-5H3,(H,24,25);6-10,12,22H,11H2,1-5H3,(H,21,23)(H,24,25);6-13,21H,1-5H3,(H,22,23);6-10,12,20H,11H2,1-5H3,(H,21,22);4-8,10,20H,9H2,1-3H3,(H,21,22);4-8,10,20-21H,9H2,1-3H3,(H,22,23)/b;9-8+;;;;9-8+;;;
InChIKeyBFQMCLHGTUZGPF-MPBMRLTASA-N
MW3651.95 g/mol
LogP51.53
Rot. Bonds54

About 4-[2,6-dibromo-4-(diethoxyphosphorylmethyl)phenoxy]-2-propan-2-ylphenol;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]methyl-methylphosphinic acid;[difluoro-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl]-methylphosphinic acid;dihydroxy-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethyl]-methylidene-λ5-phosphane;[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzoyl]amino]methyl-methylphosphinic acid;[(E)-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl-methylphosphinic acid;[(E)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid

4-[2,6-dibromo-4-(diethoxyphosphorylmethyl)phenoxy]-2-propan-2-ylphenol;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]methyl-methylphosphinic acid;[difluoro-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl]-methylphosphinic acid;dihydroxy-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethyl]-methylidene-λ5-phosphane;[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzoyl]amino]methyl-methylphosphinic acid;[(E)-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl-methylphosphinic acid;[(E)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid (PubChem CID 157334242) has the molecular formula C175H221Br4Cl2F2N2O37P9 and a molecular weight of 3651.95 g/mol. Its IUPAC name is 4-[2,6-dibromo-4-(diethoxyphosphorylmethyl)phenoxy]-2-propan-2-ylphenol;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]methyl-methylphosphinic acid;[difluoro-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl]-methylphosphinic acid;dihydroxy-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethyl]-methylidene-λ5-phosphane;[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzoyl]amino]methyl-methylphosphinic acid;[(E)-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl-methylphosphinic acid;[(E)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid.

Molecular Properties

Compound Name4-[2,6-dibromo-4-(diethoxyphosphorylmethyl)phenoxy]-2-propan-2-ylphenol;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]methyl-methylphosphinic acid;[difluoro-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl]-methylphosphinic acid;dihydroxy-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethyl]-methylidene-λ5-phosphane;[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzoyl]amino]methyl-methylphosphinic acid;[(E)-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl-methylphosphinic acid;[(E)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid
PubChem CID157334242
Molecular FormulaC175H221Br4Cl2F2N2O37P9
Molecular Weight3651.95 g/mol
Exact Mass3644.92
IUPAC Name4-[2,6-dibromo-4-(diethoxyphosphorylmethyl)phenoxy]-2-propan-2-ylphenol;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]methyl-methylphosphinic acid;[difluoro-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl]-methylphosphinic acid;dihydroxy-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethyl]-methylidene-λ5-phosphane;[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzoyl]amino]methyl-methylphosphinic acid;[(E)-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl-methylphosphinic acid;[(E)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid
SMILESC=P(O)(O)CCc1cc(C)c(Oc2ccc(OC)c(C(C)C)c2)c(C)c1.CC(C)c1cc(Oc2c(Br)cc(CP(C)(=O)O)cc2Br)ccc1O.CC(C)c1cc(Oc2c(Cl)cc(NCP(C)(=O)O)cc2Cl)ccc1O.CCOP(=O)(Cc1cc(Br)c(Oc2ccc(O)c(C(C)C)c2)c(Br)c1)OCC.Cc1cc(/C=C/P(C)(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1.Cc1cc(/C=C/P(C)(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1.Cc1cc(C(=O)NCP(C)(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1.Cc1cc(CP(C)(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1.Cc1cc(OC(F)(F)P(C)(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C21H29O4P.C21H27O3P.C20H25Br2O5P.C20H25F2O4P.C20H26NO5P.C20H25O4P.C19H25O4P.C17H19Br2O4P.C17H20Cl2NO4P/c1-14(2)19-13-18(7-8-20(19)24-5)25-21-15(3)11-17(12-16(21)4)9-10-26(6,22)23;1-14(2)19-12-17(6-7-21(19)22)13-20-15(3)10-18(11-16(20)4)8-9-25(5,23)24;1-5-25-28(24,26-6-2)12-14-9-17(21)20(18(22)10-14)27-15-7-8-19(23)16(11-15)13(3)4;1-12(2)17-10-15(6-7-19(17)23)11-18-13(3)8-16(9-14(18)4)26-20(21,22)27(5,24)25;1-12(2)17-10-16(6-7-18(17)22)26-19-13(3)8-15(9-14(19)4)20(23)21-11-27(5,24)25;1-13(2)18-12-17(6-7-19(18)21)24-20-14(3)10-16(11-15(20)4)8-9-25(5,22)23;1-12(2)17-10-16(6-7-18(17)20)23-19-13(3)8-15(9-14(19)4)11-24(5,21)22;1-10(2)13-8-12(4-5-16(13)20)23-17-14(18)6-11(7-15(17)19)9-24(3,21)22;1-10(2)13-8-12(4-5-16(13)21)24-17-14(18)6-11(7-15(17)19)20-9-25(3,22)23/h7-8,11-14,22-23H,6,9-10H2,1-5H3;6-12,14,22H,13H2,1-5H3,(H,23,24);7-11,13,23H,5-6,12H2,1-4H3;6-10,12,23H,11H2,1-5H3,(H,24,25);6-10,12,22H,11H2,1-5H3,(H,21,23)(H,24,25);6-13,21H,1-5H3,(H,22,23);6-10,12,20H,11H2,1-5H3,(H,21,22);4-8,10,20H,9H2,1-3H3,(H,21,22);4-8,10,20-21H,9H2,1-3H3,(H,22,23)/b;9-8+;;;;9-8+;;;
InChIKeyBFQMCLHGTUZGPF-MPBMRLTASA-N
XLogP51.53
TPSA623.13 Ų
H-Bond Donors19
H-Bond Acceptors31
Rotatable Bonds54
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003651.95
LogP ≤ 551.53
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-[2,6-dibromo-4-(diethoxyphosphorylmethyl)phenoxy]-2-propan-2-ylphenol;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]methyl-methylphosphinic acid;[difluoro-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl]-methylphosphinic acid;dihydroxy-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethyl]-methylidene-λ5-phosphane;[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzoyl]amino]methyl-methylphosphinic acid;[(E)-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl-methylphosphinic acid;[(E)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid with MolForge

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Related Compounds

[difluoro-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl]-methylphosphinic acid
CID 129060864
3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-N-sulfamoylbenzamide;3,5-dibromo-4-(4-methoxy-3-propan-2-ylphenoxy)benzoic acid
CID 158126818
2-benzyl-4-[[4-[2-[dihydroxy(methylidene)-λ5-phosphanyl]ethyl]-2,6-dimethylphenyl]methyl]phenol;[4-[(3-bromo-4-hydroxy-5-propan-2-ylphenyl)methyl]-3,5-dichlorophenoxy]methyl-methylphosphinic acid;[2-[3,5-dichloro-4-[(4-fluoro-3-propan-2-ylphenyl)methyl]phenyl]-2-oxoethyl]-methylphosphinic acid;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;[4-[(3-ethyl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid;2-[4-[(3-ethyl-4-hydroxyphenyl)methyl]-3,5-dimethylphenyl]ethyl-methylphosphinic acid;[4-[(4-hydroxy-3-pentan-3-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid
CID 159050846
[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]methylphosphonic acid;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-[4-hydroxy-3-(methylidene-oxo-piperidin-1-yl-λ6-sulfanyl)phenoxy]phenyl]methylphosphonic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-dihydroxy-methylphosphanium;2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl-methylphosphinic acid
CID 161188272
[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]methyl-N,N-bis[2-methylpropanoyl(propan-2-yl)amino]phosphonamidic acid
CID 68957710
[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]-difluoromethyl]phosphonic acid
CID 143340161
fluoromethyl-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]methyl]phosphinic acid
CID 15941716
[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylanilino]methylphosphonic acid
CID 15942413
ethane;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methylphosphonic acid
CID 143340233
1-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-(4-methylsulfonylphenyl)propan-1-one
CID 167644644
4-[[4-[[(3-bromo-4-methoxyphenyl)methoxy-methylphosphoryl]methyl]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[2,6-dichloro-4-(dimethylphosphorylmethyl)phenyl]methyl]-2-propan-2-ylphenol;4-[[4-(dimethylphosphorylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2S)-2-[[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]methyl-methylphosphoryl]amino]propanoate;[4-[(4-hydroxy-3-methylsulfanylphenyl)methyl]-3,5-dimethylphenyl]methyl-methylphosphinic acid;1-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]methyl-methylphosphoryl]oxyethyl 2,2-dimethylpropanoate;S-[2-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]methyl-methylphosphoryl]oxyethyl] ethanethioate;[(1S)-3-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]methyl-methylphosphoryl]oxy-1-(3-methylphenyl)propyl] acetate
CID 159147530
2-[3-bromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-5-methylphenyl]acetic acid
CID 18415138

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-dibromo-4-(diethoxyphosphorylmethyl)phenoxy]-2-propan-2-ylphenol;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]methyl-methylphosphinic acid;[difluoro-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl]-methylphosphinic acid;dihydroxy-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethyl]-methylidene-λ5-phosphane;[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzoyl]amino]methyl-methylphosphinic acid;[(E)-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl-methylphosphinic acid;[(E)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid?
The IUPAC name of 4-[2,6-dibromo-4-(diethoxyphosphorylmethyl)phenoxy]-2-propan-2-ylphenol;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]methyl-methylphosphinic acid;[difluoro-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl]-methylphosphinic acid;dihydroxy-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethyl]-methylidene-λ5-phosphane;[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzoyl]amino]methyl-methylphosphinic acid;[(E)-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl-methylphosphinic acid;[(E)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid (CID 157334242) is 4-[2,6-dibromo-4-(diethoxyphosphorylmethyl)phenoxy]-2-propan-2-ylphenol;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]methyl-methylphosphinic acid;[difluoro-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl]-methylphosphinic acid;dihydroxy-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethyl]-methylidene-λ5-phosphane;[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzoyl]amino]methyl-methylphosphinic acid;[(E)-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl-methylphosphinic acid;[(E)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid.
What is the SMILES notation for 4-[2,6-dibromo-4-(diethoxyphosphorylmethyl)phenoxy]-2-propan-2-ylphenol;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]methyl-methylphosphinic acid;[difluoro-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl]-methylphosphinic acid;dihydroxy-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethyl]-methylidene-λ5-phosphane;[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzoyl]amino]methyl-methylphosphinic acid;[(E)-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl-methylphosphinic acid;[(E)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid?
The canonical SMILES for 4-[2,6-dibromo-4-(diethoxyphosphorylmethyl)phenoxy]-2-propan-2-ylphenol;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]methyl-methylphosphinic acid;[difluoro-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl]-methylphosphinic acid;dihydroxy-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethyl]-methylidene-λ5-phosphane;[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzoyl]amino]methyl-methylphosphinic acid;[(E)-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl-methylphosphinic acid;[(E)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid is C=P(O)(O)CCc1cc(C)c(Oc2ccc(OC)c(C(C)C)c2)c(C)c1.CC(C)c1cc(Oc2c(Br)cc(CP(C)(=O)O)cc2Br)ccc1O.CC(C)c1cc(Oc2c(Cl)cc(NCP(C)(=O)O)cc2Cl)ccc1O.CCOP(=O)(Cc1cc(Br)c(Oc2ccc(O)c(C(C)C)c2)c(Br)c1)OCC.Cc1cc(/C=C/P(C)(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1.Cc1cc(/C=C/P(C)(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1.Cc1cc(C(=O)NCP(C)(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1.Cc1cc(CP(C)(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1.Cc1cc(OC(F)(F)P(C)(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1.
What is the InChIKey of 4-[2,6-dibromo-4-(diethoxyphosphorylmethyl)phenoxy]-2-propan-2-ylphenol;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]methyl-methylphosphinic acid;[difluoro-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl]-methylphosphinic acid;dihydroxy-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethyl]-methylidene-λ5-phosphane;[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzoyl]amino]methyl-methylphosphinic acid;[(E)-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl-methylphosphinic acid;[(E)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid?
The InChIKey is BFQMCLHGTUZGPF-MPBMRLTASA-N. The full InChI is InChI=1S/C21H29O4P.C21H27O3P.C20H25Br2O5P.C20H25F2O4P.C20H26NO5P.C20H25O4P.C19H25O4P.C17H19Br2O4P.C17H20Cl2NO4P/c1-14(2)19-13-18(7-8-20(19)24-5)25-21-15(3)11-17(12-16(21)4)9-10-26(6,22)23;1-14(2)19-12-17(6-7-21(19)22)13-20-15(3)10-18(11-16(20)4)8-9-25(5,23)24;1-5-25-28(24,26-6-2)12-14-9-17(21)20(18(22)10-14)27-15-7-8-19(23)16(11-15)13(3)4;1-12(2)17-10-15(6-7-19(17)23)11-18-13(3)8-16(9-14(18)4)26-20(21,22)27(5,24)25;1-12(2)17-10-16(6-7-18(17)22)26-19-13(3)8-15(9-14(19)4)20(23)21-11-27(5,24)25;1-13(2)18-12-17(6-7-19(18)21)24-20-14(3)10-16(11-15(20)4)8-9-25(5,22)23;1-12(2)17-10-16(6-7-18(17)20)23-19-13(3)8-15(9-14(19)4)11-24(5,21)22;1-10(2)13-8-12(4-5-16(13)20)23-17-14(18)6-11(7-15(17)19)9-24(3,21)22;1-10(2)13-8-12(4-5-16(13)21)24-17-14(18)6-11(7-15(17)19)20-9-25(3,22)23/h7-8,11-14,22-23H,6,9-10H2,1-5H3;6-12,14,22H,13H2,1-5H3,(H,23,24);7-11,13,23H,5-6,12H2,1-4H3;6-10,12,23H,11H2,1-5H3,(H,24,25);6-10,12,22H,11H2,1-5H3,(H,21,23)(H,24,25);6-13,21H,1-5H3,(H,22,23);6-10,12,20H,11H2,1-5H3,(H,21,22);4-8,10,20H,9H2,1-3H3,(H,21,22);4-8,10,20-21H,9H2,1-3H3,(H,22,23)/b;9-8+;;;;9-8+;;;.
What are the key properties of 4-[2,6-dibromo-4-(diethoxyphosphorylmethyl)phenoxy]-2-propan-2-ylphenol;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]methyl-methylphosphinic acid;[difluoro-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl]-methylphosphinic acid;dihydroxy-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethyl]-methylidene-λ5-phosphane;[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzoyl]amino]methyl-methylphosphinic acid;[(E)-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl-methylphosphinic acid;[(E)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid?
4-[2,6-dibromo-4-(diethoxyphosphorylmethyl)phenoxy]-2-propan-2-ylphenol;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]methyl-methylphosphinic acid;[difluoro-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl]-methylphosphinic acid;dihydroxy-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethyl]-methylidene-λ5-phosphane;[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzoyl]amino]methyl-methylphosphinic acid;[(E)-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl-methylphosphinic acid;[(E)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid has a molecular weight of 3651.95 g/mol, XLogP of 51.53, 54 rotatable bonds, 19 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-dibromo-4-(diethoxyphosphorylmethyl)phenoxy]-2-propan-2-ylphenol;[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-methylphosphinic acid;[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]methyl-methylphosphinic acid;[difluoro-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl]-methylphosphinic acid;dihydroxy-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethyl]-methylidene-λ5-phosphane;[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzoyl]amino]methyl-methylphosphinic acid;[(E)-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl-methylphosphinic acid;[(E)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethenyl]-methylphosphinic acid is sourced from PubChem (CID 157334242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).