2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol

C30H48NOP — CID 88969227

IUPAC2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol
SMILESCCCCCC(C)(Pc1c(C)cccc1CNC)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H48NOP/c1-11-12-13-17-30(9,33-27-21(2)15-14-16-22(27)20-31-10)25-19-23(28(3,4)5)18-24(26(25)32)29(6,7)8/h14-16,18-19,31-33H,11-13,17,20H2,1-10H3
InChIKeyNQBLSSGJZJDREN-UHFFFAOYSA-N
MW469.69 g/mol
LogP7.81
Rot. Bonds9

About 2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol

2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol (PubChem CID 88969227) has the molecular formula C30H48NOP and a molecular weight of 469.69 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol
PubChem CID88969227
Molecular FormulaC30H48NOP
Molecular Weight469.69 g/mol
Exact Mass469.35
IUPAC Name2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol
SMILESCCCCCC(C)(Pc1c(C)cccc1CNC)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H48NOP/c1-11-12-13-17-30(9,33-27-21(2)15-14-16-22(27)20-31-10)25-19-23(28(3,4)5)18-24(26(25)32)29(6,7)8/h14-16,18-19,31-33H,11-13,17,20H2,1-10H3
InChIKeyNQBLSSGJZJDREN-UHFFFAOYSA-N
XLogP7.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.69
LogP ≤ 57.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-ditert-butyl-6-[2-[2-methyl-6-[(propan-2-ylamino)methyl]phenyl]phosphanylhexan-2-yl]phenol
CID 88969322
2,4-ditert-butyl-6-[2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol
CID 89356376
2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol
CID 89214353
2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylheptan-2-yl]phenol
CID 89356596
4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol
CID 71191515
2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylhexan-2-yl]phenol
CID 88968948
2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)heptan-2-yl]phenol
CID 139825010
2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
4-tert-butyl-2-[2-[2-[hydroxy(phenyl)methyl]phenyl]phosphanylheptan-2-yl]-6-methylphenol
CID 71191496
4-tert-butyl-2-[3-[2-(diphenylphosphanylmethyl)-6-methylphenyl]phosphanylhexan-3-yl]-6-methylphenol
CID 71191439
4-tert-butyl-2-methyl-6-[2-[2-(1-sulfanylethyl)phenyl]phosphanylhexan-2-yl]phenol
CID 89214508
2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol
CID 71039961

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol (CID 88969227) is 2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol is CCCCCC(C)(Pc1c(C)cccc1CNC)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol?
The InChIKey is NQBLSSGJZJDREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48NOP/c1-11-12-13-17-30(9,33-27-21(2)15-14-16-22(27)20-31-10)25-19-23(28(3,4)5)18-24(26(25)32)29(6,7)8/h14-16,18-19,31-33H,11-13,17,20H2,1-10H3.
What are the key properties of 2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol?
2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol has a molecular weight of 469.69 g/mol, XLogP of 7.81, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol is sourced from PubChem (CID 88969227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).