2,4-ditert-butyl-6-[2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol

C30H48NOP — CID 89356376

IUPAC2,4-ditert-butyl-6-[2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol
SMILESCCCC(C)(Pc1c(C)cccc1CN(C)CC)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H48NOP/c1-12-17-30(10,33-27-21(3)15-14-16-22(27)20-31(11)13-2)25-19-23(28(4,5)6)18-24(26(25)32)29(7,8)9/h14-16,18-19,32-33H,12-13,17,20H2,1-11H3
InChIKeyGVXDPBCCJTVZBD-UHFFFAOYSA-N
MW469.69 g/mol
LogP7.77
Rot. Bonds8

About 2,4-ditert-butyl-6-[2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol

2,4-ditert-butyl-6-[2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol (PubChem CID 89356376) 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-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol
PubChem CID89356376
Molecular FormulaC30H48NOP
Molecular Weight469.69 g/mol
Exact Mass469.35
IUPAC Name2,4-ditert-butyl-6-[2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol
SMILESCCCC(C)(Pc1c(C)cccc1CN(C)CC)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H48NOP/c1-12-17-30(10,33-27-21(3)15-14-16-22(27)20-31(11)13-2)25-19-23(28(4,5)6)18-24(26(25)32)29(7,8)9/h14-16,18-19,32-33H,12-13,17,20H2,1-11H3
InChIKeyGVXDPBCCJTVZBD-UHFFFAOYSA-N
XLogP7.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.69
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol
CID 89214353
2-tert-butyl-6-[3-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-3-yl]-4-methylphenol
CID 88969217
2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol
CID 88969227
2,4-ditert-butyl-6-[2-[2-methyl-6-[(propan-2-ylamino)methyl]phenyl]phosphanylhexan-2-yl]phenol
CID 88969322
4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol
CID 71191515
2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanyl-4-tert-butyl-6-methylphenol;2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanyl-6-tert-butyl-4-methylphenol;2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanyl-4,6-ditert-butylphenol;2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanyl-4,6-dimethylphenol;2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanyl-6-methylphenol;2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylphenol
CID 158849320
N-[[2-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine
CID 89214643
2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylhexan-2-yl]phenol
CID 88968948
4-tert-butyl-2-[3-[2-(diphenylphosphanylmethyl)-6-methylphenyl]phosphanylhexan-3-yl]-6-methylphenol
CID 71191439
2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylheptan-2-yl]phenol
CID 89356596
4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol
CID 70807329
N-[[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine
CID 89214658

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol (CID 89356376) is 2,4-ditert-butyl-6-[2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol is CCCC(C)(Pc1c(C)cccc1CN(C)CC)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,4-ditert-butyl-6-[2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol?
The InChIKey is GVXDPBCCJTVZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48NOP/c1-12-17-30(10,33-27-21(3)15-14-16-22(27)20-31(11)13-2)25-19-23(28(4,5)6)18-24(26(25)32)29(7,8)9/h14-16,18-19,32-33H,12-13,17,20H2,1-11H3.
What are the key properties of 2,4-ditert-butyl-6-[2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol?
2,4-ditert-butyl-6-[2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol has a molecular weight of 469.69 g/mol, XLogP of 7.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol is sourced from PubChem (CID 89356376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).