[2,6-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-methylphosphinic acid;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-ethoxyphenol;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-methylsulfanylphenol;[4-[(4-hydroxy-2-methyl-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-iodo-3,5,6-trimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,3,5-trimethylphenoxy]methyl-methylphosphinic acid;[4-[[4-hydroxy-3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid

C163H208Br2F3IO35P8S — CID 160747479

IUPAC[2,6-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-methylphosphinic acid;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-ethoxyphenol;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-methylsulfanylphenol;[4-[(4-hydroxy-2-methyl-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-iodo-3,5,6-trimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,3,5-trimethylphenoxy]methyl-methylphosphinic acid;[4-[[4-hydroxy-3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid
SMILESC=P(O)(O)COc1cc(C)c(Cc2ccc(O)c(OCC)c2)c(C)c1.C=P(O)(O)COc1cc(C)c(Cc2ccc(O)c(SC)c2)c(C)c1.Cc1c(Br)c(OCP(C)(=O)O)c(Br)c(C)c1Oc1ccc(O)c(C(C)C)c1.Cc1c(C)c(OCP(C)(=O)O)c(I)c(C)c1Cc1ccc(O)c(C(C)C)c1.Cc1cc(OCP(C)(=O)O)c(C)c(C)c1Cc1ccc(O)c(C(C)C)c1.Cc1cc(OCP(C)(=O)O)c(C)cc1Cc1ccc(O)c(C(C)C)c1.Cc1cc(OCP(C)(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1C.Cc1cc(OCP(C)(=O)O)cc(C)c1Cc1ccc(O)c(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H24F3O5P.C21H28IO4P.2C21H29O4P.C20H27O4P.C19H23Br2O5P.C19H25O5P.C18H23O4PS/c1-15-9-20(31-14-33(3,29)30)10-16(2)21(15)11-17-7-8-22(28)23(12-17)32-19-6-4-5-18(13-19)24(25,26)27;1-12(2)17-9-16(7-8-19(17)23)10-18-13(3)14(4)21(20(22)15(18)5)26-11-27(6,24)25;1-13(2)18-10-17(7-8-20(18)22)11-19-14(3)9-21(16(5)15(19)4)25-12-26(6,23)24;1-13(2)21-16(5)17(7-8-20(21)22)11-19-14(3)9-18(10-15(19)4)25-12-26(6,23)24;1-13(2)18-11-16(6-7-19(18)21)10-17-8-15(4)20(9-14(17)3)24-12-25(5,22)23;1-10(2)14-8-13(6-7-15(14)22)26-18-11(3)16(20)19(17(21)12(18)4)25-9-27(5,23)24;1-5-23-19-11-15(6-7-18(19)20)10-17-13(2)8-16(9-14(17)3)24-12-25(4,21)22;1-12-7-15(22-11-23(3,20)21)8-13(2)16(12)9-14-5-6-17(19)18(10-14)24-4/h4-10,12-13,28H,11,14H2,1-3H3,(H,29,30);7-9,12,23H,10-11H2,1-6H3,(H,24,25);2*7-10,13,22H,11-12H2,1-6H3,(H,23,24);6-9,11,13,21H,10,12H2,1-5H3,(H,22,23);6-8,10,22H,9H2,1-5H3,(H,23,24);6-9,11,20-22H,4-5,10,12H2,1-3H3;5-8,10,19-21H,3,9,11H2,1-2,4H3
InChIKeyRWJKCMCUVGASGU-UHFFFAOYSA-N
MW3350.99 g/mol
LogP42.22
Rot. Bonds50

About [2,6-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-methylphosphinic acid;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-ethoxyphenol;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-methylsulfanylphenol;[4-[(4-hydroxy-2-methyl-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-iodo-3,5,6-trimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,3,5-trimethylphenoxy]methyl-methylphosphinic acid;[4-[[4-hydroxy-3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid

[2,6-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-methylphosphinic acid;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-ethoxyphenol;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-methylsulfanylphenol;[4-[(4-hydroxy-2-methyl-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-iodo-3,5,6-trimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,3,5-trimethylphenoxy]methyl-methylphosphinic acid;[4-[[4-hydroxy-3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid (PubChem CID 160747479) has the molecular formula C163H208Br2F3IO35P8S and a molecular weight of 3350.99 g/mol. Its IUPAC name is [2,6-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-methylphosphinic acid;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-ethoxyphenol;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-methylsulfanylphenol;[4-[(4-hydroxy-2-methyl-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-iodo-3,5,6-trimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,3,5-trimethylphenoxy]methyl-methylphosphinic acid;[4-[[4-hydroxy-3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid.

Molecular Properties

Compound Name[2,6-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-methylphosphinic acid;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-ethoxyphenol;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-methylsulfanylphenol;[4-[(4-hydroxy-2-methyl-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-iodo-3,5,6-trimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,3,5-trimethylphenoxy]methyl-methylphosphinic acid;[4-[[4-hydroxy-3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid
PubChem CID160747479
Molecular FormulaC163H208Br2F3IO35P8S
Molecular Weight3350.99 g/mol
Exact Mass3346.95
IUPAC Name[2,6-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-methylphosphinic acid;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-ethoxyphenol;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-methylsulfanylphenol;[4-[(4-hydroxy-2-methyl-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-iodo-3,5,6-trimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,3,5-trimethylphenoxy]methyl-methylphosphinic acid;[4-[[4-hydroxy-3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid
SMILESC=P(O)(O)COc1cc(C)c(Cc2ccc(O)c(OCC)c2)c(C)c1.C=P(O)(O)COc1cc(C)c(Cc2ccc(O)c(SC)c2)c(C)c1.Cc1c(Br)c(OCP(C)(=O)O)c(Br)c(C)c1Oc1ccc(O)c(C(C)C)c1.Cc1c(C)c(OCP(C)(=O)O)c(I)c(C)c1Cc1ccc(O)c(C(C)C)c1.Cc1cc(OCP(C)(=O)O)c(C)c(C)c1Cc1ccc(O)c(C(C)C)c1.Cc1cc(OCP(C)(=O)O)c(C)cc1Cc1ccc(O)c(C(C)C)c1.Cc1cc(OCP(C)(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1C.Cc1cc(OCP(C)(=O)O)cc(C)c1Cc1ccc(O)c(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H24F3O5P.C21H28IO4P.2C21H29O4P.C20H27O4P.C19H23Br2O5P.C19H25O5P.C18H23O4PS/c1-15-9-20(31-14-33(3,29)30)10-16(2)21(15)11-17-7-8-22(28)23(12-17)32-19-6-4-5-18(13-19)24(25,26)27;1-12(2)17-9-16(7-8-19(17)23)10-18-13(3)14(4)21(20(22)15(18)5)26-11-27(6,24)25;1-13(2)18-10-17(7-8-20(18)22)11-19-14(3)9-21(16(5)15(19)4)25-12-26(6,23)24;1-13(2)21-16(5)17(7-8-20(21)22)11-19-14(3)9-18(10-15(19)4)25-12-26(6,23)24;1-13(2)18-11-16(6-7-19(18)21)10-17-8-15(4)20(9-14(17)3)24-12-25(5,22)23;1-10(2)14-8-13(6-7-15(14)22)26-18-11(3)16(20)19(17(21)12(18)4)25-9-27(5,23)24;1-5-23-19-11-15(6-7-18(19)20)10-17-13(2)8-16(9-14(17)3)24-12-25(4,21)22;1-12-7-15(22-11-23(3,20)21)8-13(2)16(12)9-14-5-6-17(19)18(10-14)24-4/h4-10,12-13,28H,11,14H2,1-3H3,(H,29,30);7-9,12,23H,10-11H2,1-6H3,(H,24,25);2*7-10,13,22H,11-12H2,1-6H3,(H,23,24);6-9,11,13,21H,10,12H2,1-5H3,(H,22,23);6-8,10,22H,9H2,1-5H3,(H,23,24);6-9,11,20-22H,4-5,10,12H2,1-3H3;5-8,10,19-21H,3,9,11H2,1-2,4H3
InChIKeyRWJKCMCUVGASGU-UHFFFAOYSA-N
XLogP42.22
TPSA568.09 Ų
H-Bond Donors18
H-Bond Acceptors30
Rotatable Bonds50
Heavy Atoms213
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003350.99
LogP ≤ 542.22
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze [2,6-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-methylphosphinic acid;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-ethoxyphenol;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-methylsulfanylphenol;[4-[(4-hydroxy-2-methyl-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-iodo-3,5,6-trimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,3,5-trimethylphenoxy]methyl-methylphosphinic acid;[4-[[4-hydroxy-3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2,6-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-methylphosphinic acid;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-ethoxyphenol;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-methylsulfanylphenol;[4-[(4-hydroxy-2-methyl-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-iodo-3,5,6-trimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,3,5-trimethylphenoxy]methyl-methylphosphinic acid;[4-[[4-hydroxy-3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid?
The IUPAC name of [2,6-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-methylphosphinic acid;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-ethoxyphenol;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-methylsulfanylphenol;[4-[(4-hydroxy-2-methyl-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-iodo-3,5,6-trimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,3,5-trimethylphenoxy]methyl-methylphosphinic acid;[4-[[4-hydroxy-3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid (CID 160747479) is [2,6-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-methylphosphinic acid;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-ethoxyphenol;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-methylsulfanylphenol;[4-[(4-hydroxy-2-methyl-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-iodo-3,5,6-trimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,3,5-trimethylphenoxy]methyl-methylphosphinic acid;[4-[[4-hydroxy-3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid.
What is the SMILES notation for [2,6-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-methylphosphinic acid;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-ethoxyphenol;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-methylsulfanylphenol;[4-[(4-hydroxy-2-methyl-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-iodo-3,5,6-trimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,3,5-trimethylphenoxy]methyl-methylphosphinic acid;[4-[[4-hydroxy-3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid?
The canonical SMILES for [2,6-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-methylphosphinic acid;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-ethoxyphenol;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-methylsulfanylphenol;[4-[(4-hydroxy-2-methyl-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-iodo-3,5,6-trimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,3,5-trimethylphenoxy]methyl-methylphosphinic acid;[4-[[4-hydroxy-3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid is C=P(O)(O)COc1cc(C)c(Cc2ccc(O)c(OCC)c2)c(C)c1.C=P(O)(O)COc1cc(C)c(Cc2ccc(O)c(SC)c2)c(C)c1.Cc1c(Br)c(OCP(C)(=O)O)c(Br)c(C)c1Oc1ccc(O)c(C(C)C)c1.Cc1c(C)c(OCP(C)(=O)O)c(I)c(C)c1Cc1ccc(O)c(C(C)C)c1.Cc1cc(OCP(C)(=O)O)c(C)c(C)c1Cc1ccc(O)c(C(C)C)c1.Cc1cc(OCP(C)(=O)O)c(C)cc1Cc1ccc(O)c(C(C)C)c1.Cc1cc(OCP(C)(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1C.Cc1cc(OCP(C)(=O)O)cc(C)c1Cc1ccc(O)c(Oc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of [2,6-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-methylphosphinic acid;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-ethoxyphenol;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-methylsulfanylphenol;[4-[(4-hydroxy-2-methyl-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-iodo-3,5,6-trimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,3,5-trimethylphenoxy]methyl-methylphosphinic acid;[4-[[4-hydroxy-3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid?
The InChIKey is RWJKCMCUVGASGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3O5P.C21H28IO4P.2C21H29O4P.C20H27O4P.C19H23Br2O5P.C19H25O5P.C18H23O4PS/c1-15-9-20(31-14-33(3,29)30)10-16(2)21(15)11-17-7-8-22(28)23(12-17)32-19-6-4-5-18(13-19)24(25,26)27;1-12(2)17-9-16(7-8-19(17)23)10-18-13(3)14(4)21(20(22)15(18)5)26-11-27(6,24)25;1-13(2)18-10-17(7-8-20(18)22)11-19-14(3)9-21(16(5)15(19)4)25-12-26(6,23)24;1-13(2)21-16(5)17(7-8-20(21)22)11-19-14(3)9-18(10-15(19)4)25-12-26(6,23)24;1-13(2)18-11-16(6-7-19(18)21)10-17-8-15(4)20(9-14(17)3)24-12-25(5,22)23;1-10(2)14-8-13(6-7-15(14)22)26-18-11(3)16(20)19(17(21)12(18)4)25-9-27(5,23)24;1-5-23-19-11-15(6-7-18(19)20)10-17-13(2)8-16(9-14(17)3)24-12-25(4,21)22;1-12-7-15(22-11-23(3,20)21)8-13(2)16(12)9-14-5-6-17(19)18(10-14)24-4/h4-10,12-13,28H,11,14H2,1-3H3,(H,29,30);7-9,12,23H,10-11H2,1-6H3,(H,24,25);2*7-10,13,22H,11-12H2,1-6H3,(H,23,24);6-9,11,13,21H,10,12H2,1-5H3,(H,22,23);6-8,10,22H,9H2,1-5H3,(H,23,24);6-9,11,20-22H,4-5,10,12H2,1-3H3;5-8,10,19-21H,3,9,11H2,1-2,4H3.
What are the key properties of [2,6-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-methylphosphinic acid;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-ethoxyphenol;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-methylsulfanylphenol;[4-[(4-hydroxy-2-methyl-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-iodo-3,5,6-trimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,3,5-trimethylphenoxy]methyl-methylphosphinic acid;[4-[[4-hydroxy-3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid?
[2,6-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-methylphosphinic acid;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-ethoxyphenol;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-methylsulfanylphenol;[4-[(4-hydroxy-2-methyl-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-iodo-3,5,6-trimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,3,5-trimethylphenoxy]methyl-methylphosphinic acid;[4-[[4-hydroxy-3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid has a molecular weight of 3350.99 g/mol, XLogP of 42.22, 50 rotatable bonds, 18 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl-methylphosphinic acid;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-ethoxyphenol;4-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-methylsulfanylphenol;[4-[(4-hydroxy-2-methyl-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,5-dimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-iodo-3,5,6-trimethylphenoxy]methyl-methylphosphinic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,3,5-trimethylphenoxy]methyl-methylphosphinic acid;[4-[[4-hydroxy-3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid is sourced from PubChem (CID 160747479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).