4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol

C29H46NOP — CID 71191515

IUPAC4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol
SMILESCCCC(C)(Pc1c(C)cccc1N(C(C)C)C(C)C)c1cc(C(C)(C)C)cc(C)c1O
InChIInChI=1S/C29H46NOP/c1-12-16-29(11,24-18-23(28(8,9)10)17-22(7)26(24)31)32-27-21(6)14-13-15-25(27)30(19(2)3)20(4)5/h13-15,17-20,31-32H,12,16H2,1-11H3
InChIKeyRLRUCYANEQOEFI-UHFFFAOYSA-N
MW455.67 g/mol
LogP7.95
Rot. Bonds8

About 4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol

4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol (PubChem CID 71191515) has the molecular formula C29H46NOP and a molecular weight of 455.67 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol.

Molecular Properties

Compound Name4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol
PubChem CID71191515
Molecular FormulaC29H46NOP
Molecular Weight455.67 g/mol
Exact Mass455.33
IUPAC Name4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol
SMILESCCCC(C)(Pc1c(C)cccc1N(C(C)C)C(C)C)c1cc(C(C)(C)C)cc(C)c1O
InChIInChI=1S/C29H46NOP/c1-12-16-29(11,24-18-23(28(8,9)10)17-22(7)26(24)31)32-27-21(6)14-13-15-25(27)30(19(2)3)20(4)5/h13-15,17-20,31-32H,12,16H2,1-11H3
InChIKeyRLRUCYANEQOEFI-UHFFFAOYSA-N
XLogP7.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.67
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol?
The IUPAC name of 4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol (CID 71191515) is 4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol.
What is the SMILES notation for 4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol?
The canonical SMILES for 4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol is CCCC(C)(Pc1c(C)cccc1N(C(C)C)C(C)C)c1cc(C(C)(C)C)cc(C)c1O.
What is the InChIKey of 4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol?
The InChIKey is RLRUCYANEQOEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46NOP/c1-12-16-29(11,24-18-23(28(8,9)10)17-22(7)26(24)31)32-27-21(6)14-13-15-25(27)30(19(2)3)20(4)5/h13-15,17-20,31-32H,12,16H2,1-11H3.
What are the key properties of 4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol?
4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol has a molecular weight of 455.67 g/mol, XLogP of 7.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol is sourced from PubChem (CID 71191515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).