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

C50H69O4P — CID 139721800

IUPAC2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenol
SMILESCc1cc(C(C)(C)C)c2op(Oc3c(-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/C50H69O4P/c1-29-21-34-35-22-30(2)24-39(49(15,16)17)43(35)53-55(52-42(34)38(23-29)48(12,13)14)54-44-36(26-32(46(6,7)8)28-40(44)50(18,19)20)33-25-31(45(3,4)5)27-37(41(33)51)47(9,10)11/h21-28,51H,1-20H3
InChIKeyJVWCBQZRAHTYGK-UHFFFAOYSA-N
MW765.07 g/mol
LogP15.91
Rot. Bonds3

About 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

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 (PubChem CID 139721800) has the molecular formula C50H69O4P and a molecular weight of 765.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenol
PubChem CID139721800
Molecular FormulaC50H69O4P
Molecular Weight765.07 g/mol
Exact Mass764.49
IUPAC Name2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenol
SMILESCc1cc(C(C)(C)C)c2op(Oc3c(-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/C50H69O4P/c1-29-21-34-35-22-30(2)24-39(49(15,16)17)43(35)53-55(52-42(34)38(23-29)48(12,13)14)54-44-36(26-32(46(6,7)8)28-40(44)50(18,19)20)33-25-31(45(3,4)5)27-37(41(33)51)47(9,10)11/h21-28,51H,1-20H3
InChIKeyJVWCBQZRAHTYGK-UHFFFAOYSA-N
XLogP15.91
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.07
LogP ≤ 515.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
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
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
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-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-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-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2,4-dimethylphenol;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;iron;trichlorophosphane
CID 160859311
6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 158188032
2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphosphinan-2-yloxy)phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 159770605
2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[[(4R,5S)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 171748744
[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenoxy]-hydroxy-oxophosphanium
CID 21130801
2-tert-butyl-6-[3-tert-butyl-2-[(1,9-ditert-butyl-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-5-methylphenyl]-4-methylphenol
CID 139724529
4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
CID 59889718

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(C)(C)C)c2op(Oc3c(-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-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenol?
The InChIKey is JVWCBQZRAHTYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H69O4P/c1-29-21-34-35-22-30(2)24-39(49(15,16)17)43(35)53-55(52-42(34)38(23-29)48(12,13)14)54-44-36(26-32(46(6,7)8)28-40(44)50(18,19)20)33-25-31(45(3,4)5)27-37(41(33)51)47(9,10)11/h21-28,51H,1-20H3.
What are the key properties of 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?
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 has a molecular weight of 765.07 g/mol, XLogP of 15.91, 3 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-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenol is sourced from PubChem (CID 139721800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).