tris(2,3,5-trimethylphenyl) phosphite

C27H33O3P — CID 627271

IUPACtris(2,3,5-trimethylphenyl) phosphite
SMILESCc1cc(C)c(C)c(OP(Oc2cc(C)cc(C)c2C)Oc2cc(C)cc(C)c2C)c1
InChIInChI=1S/C27H33O3P/c1-16-10-19(4)22(7)25(13-16)28-31(29-26-14-17(2)11-20(5)23(26)8)30-27-15-18(3)12-21(6)24(27)9/h10-15H,1-9H3
InChIKeyQDJQZQUFHPYVJH-UHFFFAOYSA-N
MW436.53 g/mol
LogP8.23
Rot. Bonds6

About tris(2,3,5-trimethylphenyl) phosphite

tris(2,3,5-trimethylphenyl) phosphite (PubChem CID 627271) has the molecular formula C27H33O3P and a molecular weight of 436.53 g/mol. Its IUPAC name is tris(2,3,5-trimethylphenyl) phosphite.

Molecular Properties

Compound Nametris(2,3,5-trimethylphenyl) phosphite
PubChem CID627271
Molecular FormulaC27H33O3P
Molecular Weight436.53 g/mol
Exact Mass436.22
IUPAC Nametris(2,3,5-trimethylphenyl) phosphite
SMILESCc1cc(C)c(C)c(OP(Oc2cc(C)cc(C)c2C)Oc2cc(C)cc(C)c2C)c1
InChIInChI=1S/C27H33O3P/c1-16-10-19(4)22(7)25(13-16)28-31(29-26-14-17(2)11-20(5)23(26)8)30-27-15-18(3)12-21(6)24(27)9/h10-15H,1-9H3
InChIKeyQDJQZQUFHPYVJH-UHFFFAOYSA-N
XLogP8.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 58.23
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

tris(2,3,4,5-tetramethylphenyl) phosphite
CID 153324599
2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol
CID 61076408
tris(2-hydroxy-5-methylphenyl) phosphite
CID 101310923
6-(2,3,5-trimethylphenoxy)hexane-1-thiol
CID 2304768
2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol
CID 11775739
[4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite
CID 142908247
(2,3,5-trimethylphenyl) N-(trideuteriomethyl)carbamate
CID 163408995
1-(3-bromo-2,2-dimethylpropoxy)-2,3,5-trimethylbenzene
CID 64995454
N-methyl-1-(4-methylphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63474209
1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 157447220
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)
CID 158514008
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839

Frequently Asked Questions

What is the IUPAC name of tris(2,3,5-trimethylphenyl) phosphite?
The IUPAC name of tris(2,3,5-trimethylphenyl) phosphite (CID 627271) is tris(2,3,5-trimethylphenyl) phosphite.
What is the SMILES notation for tris(2,3,5-trimethylphenyl) phosphite?
The canonical SMILES for tris(2,3,5-trimethylphenyl) phosphite is Cc1cc(C)c(C)c(OP(Oc2cc(C)cc(C)c2C)Oc2cc(C)cc(C)c2C)c1.
What is the InChIKey of tris(2,3,5-trimethylphenyl) phosphite?
The InChIKey is QDJQZQUFHPYVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33O3P/c1-16-10-19(4)22(7)25(13-16)28-31(29-26-14-17(2)11-20(5)23(26)8)30-27-15-18(3)12-21(6)24(27)9/h10-15H,1-9H3.
What are the key properties of tris(2,3,5-trimethylphenyl) phosphite?
tris(2,3,5-trimethylphenyl) phosphite has a molecular weight of 436.53 g/mol, XLogP of 8.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3,5-trimethylphenyl) phosphite is sourced from PubChem (CID 627271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).