2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol

C52H73O4P — CID 139721792

IUPAC2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol
SMILESCc1cc(C(C)(C)C)c2op(Oc3c(C(C)c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)cc(C(C)(C)C)cc3C(C)(C)C)oc3c(C(C)(C)C)cc(C)cc3c2c1
InChIInChI=1S/C52H73O4P/c1-30-22-37-38-23-31(2)25-41(51(16,17)18)46(38)56-57(55-45(37)40(24-30)50(13,14)15)54-44-36(27-34(48(7,8)9)29-42(44)52(19,20)21)32(3)35-26-33(47(4,5)6)28-39(43(35)53)49(10,11)12/h22-29,32,53H,1-21H3
InChIKeyCXFQGLKDVLPQIU-UHFFFAOYSA-N
MW793.13 g/mol
LogP16.39
Rot. Bonds4

About 2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol

2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol (PubChem CID 139721792) has the molecular formula C52H73O4P and a molecular weight of 793.13 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol
PubChem CID139721792
Molecular FormulaC52H73O4P
Molecular Weight793.13 g/mol
Exact Mass792.52
IUPAC Name2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol
SMILESCc1cc(C(C)(C)C)c2op(Oc3c(C(C)c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)cc(C(C)(C)C)cc3C(C)(C)C)oc3c(C(C)(C)C)cc(C)cc3c2c1
InChIInChI=1S/C52H73O4P/c1-30-22-37-38-23-31(2)25-41(51(16,17)18)46(38)56-57(55-45(37)40(24-30)50(13,14)15)54-44-36(27-34(48(7,8)9)29-42(44)52(19,20)21)32(3)35-26-33(47(4,5)6)28-39(43(35)53)49(10,11)12/h22-29,32,53H,1-21H3
InChIKeyCXFQGLKDVLPQIU-UHFFFAOYSA-N
XLogP16.39
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.13
LogP ≤ 516.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol with MolForge

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Launch Full Analysis

Related Compounds

2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenol
CID 139721800
4,8-ditert-butyl-6-[4-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 21130889
[2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenyl] 2-methylprop-2-enoate
CID 21290800
[2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenyl] 4-methylbenzenesulfonate
CID 91130391
2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenol
CID 58798048
2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
CID 11366860
1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine
CID 159117358
tert-butyl [2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenyl] carbonate
CID 118530076
tert-butyl [2-tert-butyl-6-(3-tert-butyl-2-dichlorophosphanyloxy-5-methylphenyl)-4-methylphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenyl] carbonate;2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol;N,N-diethylethanamine
CID 159442749
4,8-ditert-butyl-6-[4-(4,8-ditert-butyl-2,10-diethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentan-2-yloxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 77459517
4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine
CID 121476390
2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2-methoxy-10-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methylphenyl]-4-methoxyphenol;[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2-methoxy-10-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methylphenyl]-4-methoxyphenoxy]-dichlorophosphane;2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;methane;bis(trichlorophosphane)
CID 160532237

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol (CID 139721792) is 2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol is Cc1cc(C(C)(C)C)c2op(Oc3c(C(C)c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)cc(C(C)(C)C)cc3C(C)(C)C)oc3c(C(C)(C)C)cc(C)cc3c2c1.
What is the InChIKey of 2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol?
The InChIKey is CXFQGLKDVLPQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H73O4P/c1-30-22-37-38-23-31(2)25-41(51(16,17)18)46(38)56-57(55-45(37)40(24-30)50(13,14)15)54-44-36(27-34(48(7,8)9)29-42(44)52(19,20)21)32(3)35-26-33(47(4,5)6)28-39(43(35)53)49(10,11)12/h22-29,32,53H,1-21H3.
What are the key properties of 2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol?
2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol has a molecular weight of 793.13 g/mol, XLogP of 16.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol is sourced from PubChem (CID 139721792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).