bis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite

C24H35O5P — CID 59005147

IUPACbis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite
SMILESCCOP(Oc1cc(C)c(O)c(C(C)(C)C)c1)Oc1cc(C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H35O5P/c1-10-27-30(28-17-11-15(2)21(25)19(13-17)23(4,5)6)29-18-12-16(3)22(26)20(14-18)24(7,8)9/h11-14,25-26H,10H2,1-9H3
InChIKeyDKJUHZWXMXURCP-UHFFFAOYSA-N
MW434.51 g/mol
LogP7.03
Rot. Bonds6

About bis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite

bis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite (PubChem CID 59005147) has the molecular formula C24H35O5P and a molecular weight of 434.51 g/mol. Its IUPAC name is bis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite.

Molecular Properties

Compound Namebis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite
PubChem CID59005147
Molecular FormulaC24H35O5P
Molecular Weight434.51 g/mol
Exact Mass434.22
IUPAC Namebis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite
SMILESCCOP(Oc1cc(C)c(O)c(C(C)(C)C)c1)Oc1cc(C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H35O5P/c1-10-27-30(28-17-11-15(2)21(25)19(13-17)23(4,5)6)29-18-12-16(3)22(26)20(14-18)24(7,8)9/h11-14,25-26H,10H2,1-9H3
InChIKeyDKJUHZWXMXURCP-UHFFFAOYSA-N
XLogP7.03
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite with MolForge

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

Launch Full Analysis

Related Compounds

2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane
CID 142081477
2-tert-butyl-4-(ethoxymethyl)-6-methylphenol
CID 14982148
2,6-ditert-butyl-4-ethoxyphenol;ethane
CID 143041042
(3-tert-butyl-4-hydroxy-5-methylphenyl) tetradecanoate
CID 91274916
ethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117420045
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
4-(3-tert-butyl-4-hydroxy-5-methylphenoxy)butanoic acid
CID 139839087
2,6-ditert-butyl-4-[[ethoxy(methoxy)phosphanyl]methyl]phenol
CID 171526978
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol
CID 22725885
2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol
CID 2385006
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 22019961

Frequently Asked Questions

What is the IUPAC name of bis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite?
The IUPAC name of bis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite (CID 59005147) is bis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite.
What is the SMILES notation for bis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite?
The canonical SMILES for bis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite is CCOP(Oc1cc(C)c(O)c(C(C)(C)C)c1)Oc1cc(C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of bis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite?
The InChIKey is DKJUHZWXMXURCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35O5P/c1-10-27-30(28-17-11-15(2)21(25)19(13-17)23(4,5)6)29-18-12-16(3)22(26)20(14-18)24(7,8)9/h11-14,25-26H,10H2,1-9H3.
What are the key properties of bis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite?
bis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite has a molecular weight of 434.51 g/mol, XLogP of 7.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite is sourced from PubChem (CID 59005147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).