2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol

C67H103O4P — CID 139724531

IUPAC2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(Cc2cc(C(C)(C)CC)cc(C(C)(C)CC)c2OP2Oc3c(cc(C(C)(C)CC)cc3C(C)(C)CC)C(C)c3cc(C(C)(C)CC)cc(C(C)(C)CC)c3O2)c(O)c(C(C)(C)CC)c1
InChIInChI=1S/C67H103O4P/c1-26-60(10,11)46-35-44(56(68)52(39-46)64(18,19)30-5)34-45-36-47(61(12,13)27-2)40-53(65(20,21)31-6)57(45)69-72-70-58-50(37-48(62(14,15)28-3)41-54(58)66(22,23)32-7)43(9)51-38-49(63(16,17)29-4)42-55(59(51)71-72)67(24,25)33-8/h35-43,68H,26-34H2,1-25H3
InChIKeyLWLKQELNUAHPEJ-UHFFFAOYSA-N
MW1003.53 g/mol
LogP20.71
Rot. Bonds20

About 2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol

2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol (PubChem CID 139724531) has the molecular formula C67H103O4P and a molecular weight of 1003.53 g/mol. Its IUPAC name is 2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol
PubChem CID139724531
Molecular FormulaC67H103O4P
Molecular Weight1003.53 g/mol
Exact Mass1002.76
IUPAC Name2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(Cc2cc(C(C)(C)CC)cc(C(C)(C)CC)c2OP2Oc3c(cc(C(C)(C)CC)cc3C(C)(C)CC)C(C)c3cc(C(C)(C)CC)cc(C(C)(C)CC)c3O2)c(O)c(C(C)(C)CC)c1
InChIInChI=1S/C67H103O4P/c1-26-60(10,11)46-35-44(56(68)52(39-46)64(18,19)30-5)34-45-36-47(61(12,13)27-2)40-53(65(20,21)31-6)57(45)69-72-70-58-50(37-48(62(14,15)28-3)41-54(58)66(22,23)32-7)43(9)51-38-49(63(16,17)29-4)42-55(59(51)71-72)67(24,25)33-8/h35-43,68H,26-34H2,1-25H3
InChIKeyLWLKQELNUAHPEJ-UHFFFAOYSA-N
XLogP20.71
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.53
LogP ≤ 520.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol with MolForge

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Related Compounds

2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol
CID 139721810
2,4-ditert-butyl-6-[[3,5-ditert-butyl-2-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]methyl]phenol
CID 139724523
2-tert-butyl-6-[[3-tert-butyl-2-[(1,9-ditert-butyl-3,5,7-trimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-5-methylphenyl]methyl]-4-methylphenol
CID 139724526
2,4-ditert-butyl-6-[[3,5-ditert-butyl-2-[(1,9-ditert-butyl-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]methyl]phenol
CID 139724522
2,4-ditert-butyl-6-[[3,5-ditert-butyl-2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]methyl]phenol
CID 130306287
1,3,7,9-tetratert-butyl-5-methyl-11-octoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine
CID 22709132
2-tert-butyl-6-[[3-tert-butyl-5-methyl-2-[(1,3,7,9-tetratert-butyl-5-methyl-11-oxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]methyl]-4-methylphenol
CID 139780892
6,8-ditert-butyl-2-[2,4-ditert-butyl-6-[[3,5-ditert-butyl-2-[(6,8-ditert-butyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]methyl]phenoxy]-4H-1,3,2-benzodioxaphosphinine
CID 16756577
N-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 43512291
[2-tert-butyl-6-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]methyl]-4-methylphenyl] prop-2-enoate
CID 154399243
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
2-[[2-hydroxy-5-(5-hydroxypentyl)-3-(2-methylbutan-2-yl)phenyl]methyl]-4-(5-hydroxypentyl)-6-(2-methylbutan-2-yl)phenol
CID 58863005

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol?
The IUPAC name of 2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol (CID 139724531) is 2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol?
The canonical SMILES for 2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol is CCC(C)(C)c1cc(Cc2cc(C(C)(C)CC)cc(C(C)(C)CC)c2OP2Oc3c(cc(C(C)(C)CC)cc3C(C)(C)CC)C(C)c3cc(C(C)(C)CC)cc(C(C)(C)CC)c3O2)c(O)c(C(C)(C)CC)c1.
What is the InChIKey of 2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol?
The InChIKey is LWLKQELNUAHPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H103O4P/c1-26-60(10,11)46-35-44(56(68)52(39-46)64(18,19)30-5)34-45-36-47(61(12,13)27-2)40-53(65(20,21)31-6)57(45)69-72-70-58-50(37-48(62(14,15)28-3)41-54(58)66(22,23)32-7)43(9)51-38-49(63(16,17)29-4)42-55(59(51)71-72)67(24,25)33-8/h35-43,68H,26-34H2,1-25H3.
What are the key properties of 2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol?
2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol has a molecular weight of 1003.53 g/mol, XLogP of 20.71, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 139724531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).