2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane

C22H45O2P — CID 142081477

IUPAC2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane
SMILESCC.CCC.CCOP.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H24O.C3H8.C2H7OP.C2H6/c1-10-8-11(14(2,3)4)9-12(13(10)16)15(5,6)7;1-3-2;1-2-3-4;1-2/h8-9,16H,1-7H3;3H2,1-2H3;2,4H2,1H3;1-2H3
InChIKeyIYZAXIFZQOMBSE-UHFFFAOYSA-N
MW372.57 g/mol
LogP7.55
Rot. Bonds1

About 2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane

2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane (PubChem CID 142081477) has the molecular formula C22H45O2P and a molecular weight of 372.57 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane.

Molecular Properties

Compound Name2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane
PubChem CID142081477
Molecular FormulaC22H45O2P
Molecular Weight372.57 g/mol
Exact Mass372.32
IUPAC Name2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane
SMILESCC.CCC.CCOP.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H24O.C3H8.C2H7OP.C2H6/c1-10-8-11(14(2,3)4)9-12(13(10)16)15(5,6)7;1-3-2;1-2-3-4;1-2/h8-9,16H,1-7H3;3H2,1-2H3;2,4H2,1H3;1-2H3
InChIKeyIYZAXIFZQOMBSE-UHFFFAOYSA-N
XLogP7.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.57
LogP ≤ 57.55
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-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
2-tert-butyl-4-(ethoxymethyl)-6-methylphenol
CID 14982148
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane
CID 158537359
2-tert-butyl-4,6-dimethylphenol
CID 87814182
CID 135046337
CID 135046337
2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol
CID 2385006
bis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite
CID 59005147
ethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117420045
4-tert-butyl-2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol
CID 126701429
2,6-ditert-butyl-4-ethoxyphenol;ethane
CID 143041042
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol
CID 139625941
2-hydroxyethyl 2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 87393246

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane?
The IUPAC name of 2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane (CID 142081477) is 2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane.
What is the SMILES notation for 2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane?
The canonical SMILES for 2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane is CC.CCC.CCOP.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane?
The InChIKey is IYZAXIFZQOMBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C3H8.C2H7OP.C2H6/c1-10-8-11(14(2,3)4)9-12(13(10)16)15(5,6)7;1-3-2;1-2-3-4;1-2/h8-9,16H,1-7H3;3H2,1-2H3;2,4H2,1H3;1-2H3.
What are the key properties of 2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane?
2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane has a molecular weight of 372.57 g/mol, XLogP of 7.55, 1 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-methylphenol;ethane;ethoxyphosphane;propane is sourced from PubChem (CID 142081477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).