(3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol;(2,5-dihydroxyphenyl)-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol

C90H92O16P4 — CID 157161761

IUPAC(3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol;(2,5-dihydroxyphenyl)-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol
SMILESCC(C)(C)c1cc(CP(=O)(O)c2ccccc2-c2ccccc2O)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CP2(=O)Oc3ccccc3-c3ccccc32)cc(C(C)(C)C)c1O.O=P(O)(c1cc(O)ccc1O)c1ccccc1-c1ccccc1O.O=P1(c2cc(O)ccc2O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C27H33O4P.C27H31O3P.C18H15O5P.C18H13O4P/c1-26(2,3)21-15-18(16-22(25(21)29)27(4,5)6)17-32(30,31)24-14-10-8-12-20(24)19-11-7-9-13-23(19)28;1-26(2,3)21-15-18(16-22(25(21)28)27(4,5)6)17-31(29)24-14-10-8-12-20(24)19-11-7-9-13-23(19)30-31;19-12-9-10-16(21)18(11-12)24(22,23)17-8-4-2-6-14(17)13-5-1-3-7-15(13)20;19-12-9-10-15(20)18(11-12)23(21)17-8-4-2-6-14(17)13-5-1-3-7-16(13)22-23/h7-16,28-29H,17H2,1-6H3,(H,30,31);7-16,28H,17H2,1-6H3;1-11,19-21H,(H,22,23);1-11,19-20H
InChIKeyAMLOOFMPGSGCIL-UHFFFAOYSA-N
MW1553.61 g/mol
LogP19.68
Rot. Bonds10

About (3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol;(2,5-dihydroxyphenyl)-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol

(3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol;(2,5-dihydroxyphenyl)-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol (PubChem CID 157161761) has the molecular formula C90H92O16P4 and a molecular weight of 1553.61 g/mol. Its IUPAC name is (3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol;(2,5-dihydroxyphenyl)-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol.

Molecular Properties

Compound Name(3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol;(2,5-dihydroxyphenyl)-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol
PubChem CID157161761
Molecular FormulaC90H92O16P4
Molecular Weight1553.61 g/mol
Exact Mass1552.53
IUPAC Name(3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol;(2,5-dihydroxyphenyl)-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol
SMILESCC(C)(C)c1cc(CP(=O)(O)c2ccccc2-c2ccccc2O)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CP2(=O)Oc3ccccc3-c3ccccc32)cc(C(C)(C)C)c1O.O=P(O)(c1cc(O)ccc1O)c1ccccc1-c1ccccc1O.O=P1(c2cc(O)ccc2O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C27H33O4P.C27H31O3P.C18H15O5P.C18H13O4P/c1-26(2,3)21-15-18(16-22(25(21)29)27(4,5)6)17-32(30,31)24-14-10-8-12-20(24)19-11-7-9-13-23(19)28;1-26(2,3)21-15-18(16-22(25(21)28)27(4,5)6)17-31(29)24-14-10-8-12-20(24)19-11-7-9-13-23(19)30-31;19-12-9-10-16(21)18(11-12)24(22,23)17-8-4-2-6-14(17)13-5-1-3-7-15(13)20;19-12-9-10-15(20)18(11-12)23(21)17-8-4-2-6-14(17)13-5-1-3-7-16(13)22-23/h7-16,28-29H,17H2,1-6H3,(H,30,31);7-16,28H,17H2,1-6H3;1-11,19-21H,(H,22,23);1-11,19-20H
InChIKeyAMLOOFMPGSGCIL-UHFFFAOYSA-N
XLogP19.68
TPSA289.04 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001553.61
LogP ≤ 519.68
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze (3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol;(2,5-dihydroxyphenyl)-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol with MolForge

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Related Compounds

[2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl] dihydrogen phosphite
CID 139373130
4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol
CID 126692418
2,7-bis(2,4,6-trimethylphenoxy)-6,8-dioxa-2,7-diphosphaspiro[3.5]nonane;2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol;methanethione
CID 91236704
6-[(4-methylphenyl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 23594102
benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol;3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]oxolane-2,5-dione;propane
CID 158779919
6-ethyl-2,4-dimethyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol
CID 59078187
2-diphenylphosphoryl-3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol
CID 102496741
6-[[5-[2-[3,5-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]propan-2-yl]-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 122501167
1,3-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]urea
CID 155313188
4-[1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-1-phenylethyl]benzene-1,3-diol
CID 146257718
4-[[4-[4-[[4-[4-[2-[4-[3,5-dimethyl-4-[[4-[4-[[4-methyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]phenyl]methoxy]phenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]phenyl]methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenol
CID 126731339
calcium;(3,5-ditert-butyl-4-hydroxyphenyl)methylphosphonic acid;hydride
CID 173169502

Frequently Asked Questions

What is the IUPAC name of (3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol;(2,5-dihydroxyphenyl)-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol?
The IUPAC name of (3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol;(2,5-dihydroxyphenyl)-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol (CID 157161761) is (3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol;(2,5-dihydroxyphenyl)-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol.
What is the SMILES notation for (3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol;(2,5-dihydroxyphenyl)-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol?
The canonical SMILES for (3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol;(2,5-dihydroxyphenyl)-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol is CC(C)(C)c1cc(CP(=O)(O)c2ccccc2-c2ccccc2O)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CP2(=O)Oc3ccccc3-c3ccccc32)cc(C(C)(C)C)c1O.O=P(O)(c1cc(O)ccc1O)c1ccccc1-c1ccccc1O.O=P1(c2cc(O)ccc2O)Oc2ccccc2-c2ccccc21.
What is the InChIKey of (3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol;(2,5-dihydroxyphenyl)-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol?
The InChIKey is AMLOOFMPGSGCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33O4P.C27H31O3P.C18H15O5P.C18H13O4P/c1-26(2,3)21-15-18(16-22(25(21)29)27(4,5)6)17-32(30,31)24-14-10-8-12-20(24)19-11-7-9-13-23(19)28;1-26(2,3)21-15-18(16-22(25(21)28)27(4,5)6)17-31(29)24-14-10-8-12-20(24)19-11-7-9-13-23(19)30-31;19-12-9-10-16(21)18(11-12)24(22,23)17-8-4-2-6-14(17)13-5-1-3-7-15(13)20;19-12-9-10-15(20)18(11-12)23(21)17-8-4-2-6-14(17)13-5-1-3-7-16(13)22-23/h7-16,28-29H,17H2,1-6H3,(H,30,31);7-16,28H,17H2,1-6H3;1-11,19-21H,(H,22,23);1-11,19-20H.
What are the key properties of (3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol;(2,5-dihydroxyphenyl)-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol?
(3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol;(2,5-dihydroxyphenyl)-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol has a molecular weight of 1553.61 g/mol, XLogP of 19.68, 10 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol;(2,5-dihydroxyphenyl)-[2-(2-hydroxyphenyl)phenyl]phosphinic acid;2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol is sourced from PubChem (CID 157161761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).