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

C147H178BrCl4F2O25P7 — CID 159050846

About 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

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 (PubChem CID 159050846) has the molecular formula C147H178BrCl4F2O25P7 and a molecular weight of 2821.55 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159050846
• Molecular Formula: C147H178BrCl4F2O25P7
• Molecular Weight: 2821.55 g/mol
• Exact Mass: 2816.87
• IUPAC Name: 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
• SMILES: C=P(O)(O)CCc1cc(C)c(Cc2ccc(O)c(Cc3ccccc3)c2)c(C)c1.C=P(O)(O)COc1cc(C)c(Cc2ccc(O)c(Cc3ccc(F)cc3)c2)c(C)c1.CC(C)c1cc(Cc2c(Cl)cc(C(=O)CP(C)(=O)O)cc2Cl)ccc1F.CC(C)c1cc(Cc2c(Cl)cc(OCP(C)(=O)O)cc2Cl)cc(Br)c1O.CCC(CC)c1cc(Cc2c(C)cc(OCP(C)(=O)O)cc2C)ccc1O.CCc1cc(Cc2c(C)cc(CCP(C)(=O)O)cc2C)ccc1O.CCc1cc(Cc2c(C)cc(OCP(C)(=O)O)cc2C)ccc1O
• InChI: InChI=1S/C25H29O3P.C24H26FO4P.C22H31O4P.C20H27O3P.C19H20Cl2FO3P.C19H25O4P.C18H20BrCl2O4P/c1-18-13-22(11-12-29(3,27)28)14-19(2)24(18)17-21-9-10-25(26)23(16-21)15-20-7-5-4-6-8-20;1-16-10-22(29-15-30(3,27)28)11-17(2)23(16)14-19-6-9-24(26)20(13-19)12-18-4-7-21(25)8-5-18;1-6-18(7-2)21-13-17(8-9-22(21)23)12-20-15(3)10-19(11-16(20)4)26-14-27(5,24)25;1-5-18-12-16(6-7-20(18)21)13-19-14(2)10-17(11-15(19)3)8-9-24(4,22)23;1-11(2)14-6-12(4-5-18(14)22)7-15-16(20)8-13(9-17(15)21)19(23)10-26(3,24)25;1-5-16-10-15(6-7-19(16)20)11-18-13(2)8-17(9-14(18)3)23-12-24(4,21)22;1-10(2)13-4-11(6-15(19)18(13)22)5-14-16(20)7-12(8-17(14)21)25-9-26(3,23)24/h4-10,13-14,16,26-28H,3,11-12,15,17H2,1-2H3;4-11,13,26-28H,3,12,14-15H2,1-2H3;8-11,13,18,23H,6-7,12,14H2,1-5H3,(H,24,25);6-7,10-12,21H,5,8-9,13H2,1-4H3,(H,22,23);4-6,8-9,11H,7,10H2,1-3H3,(H,24,25);6-10,20H,5,11-12H2,1-4H3,(H,21,22);4,6-8,10,22H,5,9H2,1-3H3,(H,23,24)
• InChIKey: JXGARGKOYGIPTP-UHFFFAOYSA-N
• XLogP: 37.01
• TPSA: 442.79 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 20
• Rotatable Bonds: 46
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2821.55
LogP ≤ 5	37.01
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=P(O)(O)CCc1cc(C)c(Cc2ccc(O)c(Cc3ccccc3)c2)c(C)c1.C=P(O)(O)COc1cc(C)c(Cc2ccc(O)c(Cc3ccc(F)cc3)c2)c(C)c1.CC(C)c1cc(Cc2c(Cl)cc(C(=O)CP(C)(=O)O)cc2Cl)ccc1F.CC(C)c1cc(Cc2c(Cl)cc(OCP(C)(=O)O)cc2Cl)cc(Br)c1O.CCC(CC)c1cc(Cc2c(C)cc(OCP(C)(=O)O)cc2C)ccc1O.CCc1cc(Cc2c(C)cc(CCP(C)(=O)O)cc2C)ccc1O.CCc1cc(Cc2c(C)cc(OCP(C)(=O)O)cc2C)ccc1O.

What is the InChIKey of 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?

The InChIKey is JXGARGKOYGIPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29O3P.C24H26FO4P.C22H31O4P.C20H27O3P.C19H20Cl2FO3P.C19H25O4P.C18H20BrCl2O4P/c1-18-13-22(11-12-29(3,27)28)14-19(2)24(18)17-21-9-10-25(26)23(16-21)15-20-7-5-4-6-8-20;1-16-10-22(29-15-30(3,27)28)11-17(2)23(16)14-19-6-9-24(26)20(13-19)12-18-4-7-21(25)8-5-18;1-6-18(7-2)21-13-17(8-9-22(21)23)12-20-15(3)10-19(11-16(20)4)26-14-27(5,24)25;1-5-18-12-16(6-7-20(18)21)13-19-14(2)10-17(11-15(19)3)8-9-24(4,22)23;1-11(2)14-6-12(4-5-18(14)22)7-15-16(20)8-13(9-17(15)21)19(23)10-26(3,24)25;1-5-16-10-15(6-7-19(16)20)11-18-13(2)8-17(9-14(18)3)23-12-24(4,21)22;1-10(2)13-4-11(6-15(19)18(13)22)5-14-16(20)7-12(8-17(14)21)25-9-26(3,23)24/h4-10,13-14,16,26-28H,3,11-12,15,17H2,1-2H3;4-11,13,26-28H,3,12,14-15H2,1-2H3;8-11,13,18,23H,6-7,12,14H2,1-5H3,(H,24,25);6-7,10-12,21H,5,8-9,13H2,1-4H3,(H,22,23);4-6,8-9,11H,7,10H2,1-3H3,(H,24,25);6-10,20H,5,11-12H2,1-4H3,(H,21,22);4,6-8,10,22H,5,9H2,1-3H3,(H,23,24).

What are the key properties of 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?

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 has a molecular weight of 2821.55 g/mol, XLogP of 37.01, 46 rotatable bonds, 15 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159050846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).