tris(4-methylphenyl) phosphite

C21H21O3P — CID 12106

IUPACtris(4-methylphenyl) phosphite
SMILESCc1ccc(OP(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C21H21O3P/c1-16-4-10-19(11-5-16)22-25(23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKeyFEVFLQDDNUQKRY-UHFFFAOYSA-N
MW352.37 g/mol
LogP6.38
Rot. Bonds6

About tris(4-methylphenyl) phosphite

tris(4-methylphenyl) phosphite (PubChem CID 12106) has the molecular formula C21H21O3P and a molecular weight of 352.37 g/mol. Its IUPAC name is tris(4-methylphenyl) phosphite.

Molecular Properties

Compound Nametris(4-methylphenyl) phosphite
PubChem CID12106
Molecular FormulaC21H21O3P
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Nametris(4-methylphenyl) phosphite
SMILESCc1ccc(OP(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C21H21O3P/c1-16-4-10-19(11-5-16)22-25(23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKeyFEVFLQDDNUQKRY-UHFFFAOYSA-N
XLogP6.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.37
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethylstilbestrol
CID 448537
2-Ethylhexyl diphenyl phosphate
CID 14716
Tri-p-cresyl phosphate
CID 6529
Fosfestrol
CID 3032325
Triphenyl phosphite
CID 7540
Diphenyl cresyl phosphate
CID 520263
o-Cresyl phosphate
CID 6527
Tri-m-cresyl phosphate
CID 11232
Monocresyl diphenyl phosphate
CID 6528
Tris(3,5-xylenyl)phosphate
CID 33133
Diethylstilbesterol
CID 3054
Tris(nonylphenyl)phosphite
CID 76452

Frequently Asked Questions

What is the IUPAC name of tris(4-methylphenyl) phosphite?
The IUPAC name of tris(4-methylphenyl) phosphite (CID 12106) is tris(4-methylphenyl) phosphite.
What is the SMILES notation for tris(4-methylphenyl) phosphite?
The canonical SMILES for tris(4-methylphenyl) phosphite is Cc1ccc(OP(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.
What is the InChIKey of tris(4-methylphenyl) phosphite?
The InChIKey is FEVFLQDDNUQKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O3P/c1-16-4-10-19(11-5-16)22-25(23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21/h4-15H,1-3H3.
What are the key properties of tris(4-methylphenyl) phosphite?
tris(4-methylphenyl) phosphite has a molecular weight of 352.37 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methylphenyl) phosphite is sourced from PubChem (CID 12106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).