tris(4-ethyl-2-propan-2-ylphenyl) phosphite

C33H45O3P — CID 139909258

IUPACtris(4-ethyl-2-propan-2-ylphenyl) phosphite
SMILESCCc1ccc(OP(Oc2ccc(CC)cc2C(C)C)Oc2ccc(CC)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C33H45O3P/c1-10-25-13-16-31(28(19-25)22(4)5)34-37(35-32-17-14-26(11-2)20-29(32)23(6)7)36-33-18-15-27(12-3)21-30(33)24(8)9/h13-24H,10-12H2,1-9H3
InChIKeyLIBIORCJFSIZPQ-UHFFFAOYSA-N
MW520.69 g/mol
LogP10.51
Rot. Bonds12

About tris(4-ethyl-2-propan-2-ylphenyl) phosphite

tris(4-ethyl-2-propan-2-ylphenyl) phosphite (PubChem CID 139909258) has the molecular formula C33H45O3P and a molecular weight of 520.69 g/mol. Its IUPAC name is tris(4-ethyl-2-propan-2-ylphenyl) phosphite.

Molecular Properties

Compound Nametris(4-ethyl-2-propan-2-ylphenyl) phosphite
PubChem CID139909258
Molecular FormulaC33H45O3P
Molecular Weight520.69 g/mol
Exact Mass520.31
IUPAC Nametris(4-ethyl-2-propan-2-ylphenyl) phosphite
SMILESCCc1ccc(OP(Oc2ccc(CC)cc2C(C)C)Oc2ccc(CC)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C33H45O3P/c1-10-25-13-16-31(28(19-25)22(4)5)34-37(35-32-17-14-26(11-2)20-29(32)23(6)7)36-33-18-15-27(12-3)21-30(33)24(8)9/h13-24H,10-12H2,1-9H3
InChIKeyLIBIORCJFSIZPQ-UHFFFAOYSA-N
XLogP10.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.69
LogP ≤ 510.51
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

ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite
CID 142850621
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
2-bromo-4-ethyl-1-propan-2-ylbenzene
CID 71164366
2-butan-2-yl-4-ethyl-1-propan-2-ylbenzene
CID 123761837
1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914618
tris(2-butan-2-ylphenyl) phosphite
CID 18519322
4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene
CID 137409492
2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine
CID 166537892
2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid
CID 143022622
1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene
CID 59435901
3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropane-1-thiol
CID 83935189

Frequently Asked Questions

What is the IUPAC name of tris(4-ethyl-2-propan-2-ylphenyl) phosphite?
The IUPAC name of tris(4-ethyl-2-propan-2-ylphenyl) phosphite (CID 139909258) is tris(4-ethyl-2-propan-2-ylphenyl) phosphite.
What is the SMILES notation for tris(4-ethyl-2-propan-2-ylphenyl) phosphite?
The canonical SMILES for tris(4-ethyl-2-propan-2-ylphenyl) phosphite is CCc1ccc(OP(Oc2ccc(CC)cc2C(C)C)Oc2ccc(CC)cc2C(C)C)c(C(C)C)c1.
What is the InChIKey of tris(4-ethyl-2-propan-2-ylphenyl) phosphite?
The InChIKey is LIBIORCJFSIZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45O3P/c1-10-25-13-16-31(28(19-25)22(4)5)34-37(35-32-17-14-26(11-2)20-29(32)23(6)7)36-33-18-15-27(12-3)21-30(33)24(8)9/h13-24H,10-12H2,1-9H3.
What are the key properties of tris(4-ethyl-2-propan-2-ylphenyl) phosphite?
tris(4-ethyl-2-propan-2-ylphenyl) phosphite has a molecular weight of 520.69 g/mol, XLogP of 10.51, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-ethyl-2-propan-2-ylphenyl) phosphite is sourced from PubChem (CID 139909258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).