4-tert-butyl-2-[diphenylphosphoryl(ethyl)amino]phenol

C24H28NO2P — CID 134935946

IUPAC4-tert-butyl-2-[diphenylphosphoryl(ethyl)amino]phenol
SMILESCCN(c1cc(C(C)(C)C)ccc1O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28NO2P/c1-5-25(22-18-19(24(2,3)4)16-17-23(22)26)28(27,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-18,26H,5H2,1-4H3
InChIKeyPCXJFYRAUBQEPL-UHFFFAOYSA-N
MW393.47 g/mol
LogP5.45
Rot. Bonds5

About 4-tert-butyl-2-[diphenylphosphoryl(ethyl)amino]phenol

4-tert-butyl-2-[diphenylphosphoryl(ethyl)amino]phenol (PubChem CID 134935946) has the molecular formula C24H28NO2P and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-tert-butyl-2-[diphenylphosphoryl(ethyl)amino]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[diphenylphosphoryl(ethyl)amino]phenol
PubChem CID134935946
Molecular FormulaC24H28NO2P
Molecular Weight393.47 g/mol
Exact Mass393.19
IUPAC Name4-tert-butyl-2-[diphenylphosphoryl(ethyl)amino]phenol
SMILESCCN(c1cc(C(C)(C)C)ccc1O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28NO2P/c1-5-25(22-18-19(24(2,3)4)16-17-23(22)26)28(27,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-18,26H,5H2,1-4H3
InChIKeyPCXJFYRAUBQEPL-UHFFFAOYSA-N
XLogP5.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.47
LogP ≤ 55.45
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

4-tert-butylbenzene-1,2-diol;phenol
CID 160621546
4-tert-butyl-2-diethoxyphosphorylphenol
CID 142755834
N-butan-2-yl-4-tert-butyl-2-diphenylphosphorylbenzamide
CID 163517583
4-tert-butyl-2-[pyridin-2-ylmethyl(2-sulfanylethyl)amino]phenol
CID 101365814
(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone
CID 517837
7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid
CID 19606931
(4-tert-butyl-2,6-dimethylphenyl)-[ethyl(phenyl)phosphoryl]methanone
CID 18513883
1-diphenylphosphoryl-1-phenylethanol
CID 155934602
azanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium
CID 87380509
1-[(4-tert-butylphenyl)-diphenylphosphorylmethyl]naphthalen-2-ol
CID 132565640
4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381697
3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
CID 108884791

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[diphenylphosphoryl(ethyl)amino]phenol?
The IUPAC name of 4-tert-butyl-2-[diphenylphosphoryl(ethyl)amino]phenol (CID 134935946) is 4-tert-butyl-2-[diphenylphosphoryl(ethyl)amino]phenol.
What is the SMILES notation for 4-tert-butyl-2-[diphenylphosphoryl(ethyl)amino]phenol?
The canonical SMILES for 4-tert-butyl-2-[diphenylphosphoryl(ethyl)amino]phenol is CCN(c1cc(C(C)(C)C)ccc1O)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-tert-butyl-2-[diphenylphosphoryl(ethyl)amino]phenol?
The InChIKey is PCXJFYRAUBQEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28NO2P/c1-5-25(22-18-19(24(2,3)4)16-17-23(22)26)28(27,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-18,26H,5H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[diphenylphosphoryl(ethyl)amino]phenol?
4-tert-butyl-2-[diphenylphosphoryl(ethyl)amino]phenol has a molecular weight of 393.47 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[diphenylphosphoryl(ethyl)amino]phenol is sourced from PubChem (CID 134935946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).