tris(2-hydroxy-5-methylphenyl) phosphite

C21H21O6P — CID 101310923

IUPACtris(2-hydroxy-5-methylphenyl) phosphite
SMILESCc1ccc(O)c(OP(Oc2cc(C)ccc2O)Oc2cc(C)ccc2O)c1
InChIInChI=1S/C21H21O6P/c1-13-4-7-16(22)19(10-13)25-28(26-20-11-14(2)5-8-17(20)23)27-21-12-15(3)6-9-18(21)24/h4-12,22-24H,1-3H3
InChIKeyGLRJTWSEEFEPDJ-UHFFFAOYSA-N
MW400.37 g/mol
LogP5.49
Rot. Bonds6

About tris(2-hydroxy-5-methylphenyl) phosphite

tris(2-hydroxy-5-methylphenyl) phosphite (PubChem CID 101310923) has the molecular formula C21H21O6P and a molecular weight of 400.37 g/mol. Its IUPAC name is tris(2-hydroxy-5-methylphenyl) phosphite.

Molecular Properties

Compound Nametris(2-hydroxy-5-methylphenyl) phosphite
PubChem CID101310923
Molecular FormulaC21H21O6P
Molecular Weight400.37 g/mol
Exact Mass400.11
IUPAC Nametris(2-hydroxy-5-methylphenyl) phosphite
SMILESCc1ccc(O)c(OP(Oc2cc(C)ccc2O)Oc2cc(C)ccc2O)c1
InChIInChI=1S/C21H21O6P/c1-13-4-7-16(22)19(10-13)25-28(26-20-11-14(2)5-8-17(20)23)27-21-12-15(3)6-9-18(21)24/h4-12,22-24H,1-3H3
InChIKeyGLRJTWSEEFEPDJ-UHFFFAOYSA-N
XLogP5.49
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.37
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite
CID 142908247
sodium;hydride;2-methoxy-4-methylphenol
CID 174706082
4-methyl-2-prop-2-ynoxyphenol
CID 130032474
2-(3-methoxypropoxy)-4-methylphenol
CID 59224290
4-methyl-2-tetradecoxyphenol
CID 19014152
2,4-dimethylphenol
CID 67713801
bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
4-(3,5-dimethylphenyl)-2-methoxyphenol
CID 53220752
zinc;2-bromo-4-methylphenol;oxygen(2-)
CID 174743291
2-aminooxy-5-methylphenol;ethane
CID 144810580
(2-hydroxy-5-methylphenyl) 3,4,5-trihydroxybenzoate
CID 90791517
2,4-dimethylphenol;yttrium
CID 87733318

Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxy-5-methylphenyl) phosphite?
The IUPAC name of tris(2-hydroxy-5-methylphenyl) phosphite (CID 101310923) is tris(2-hydroxy-5-methylphenyl) phosphite.
What is the SMILES notation for tris(2-hydroxy-5-methylphenyl) phosphite?
The canonical SMILES for tris(2-hydroxy-5-methylphenyl) phosphite is Cc1ccc(O)c(OP(Oc2cc(C)ccc2O)Oc2cc(C)ccc2O)c1.
What is the InChIKey of tris(2-hydroxy-5-methylphenyl) phosphite?
The InChIKey is GLRJTWSEEFEPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O6P/c1-13-4-7-16(22)19(10-13)25-28(26-20-11-14(2)5-8-17(20)23)27-21-12-15(3)6-9-18(21)24/h4-12,22-24H,1-3H3.
What are the key properties of tris(2-hydroxy-5-methylphenyl) phosphite?
tris(2-hydroxy-5-methylphenyl) phosphite has a molecular weight of 400.37 g/mol, XLogP of 5.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxy-5-methylphenyl) phosphite is sourced from PubChem (CID 101310923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).