phosphane;tris(4-methylphenyl) phosphite

C21H24O3P2 — CID 174494653

IUPACphosphane;tris(4-methylphenyl) phosphite
SMILESCc1ccc(OP(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.P
InChIInChI=1S/C21H21O3P.H3P/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;1H3
InChIKeyJYUMCWUWALATSN-UHFFFAOYSA-N
MW386.37 g/mol
LogP6.43
Rot. Bonds6

About phosphane;tris(4-methylphenyl) phosphite

phosphane;tris(4-methylphenyl) phosphite (PubChem CID 174494653) has the molecular formula C21H24O3P2 and a molecular weight of 386.37 g/mol. Its IUPAC name is phosphane;tris(4-methylphenyl) phosphite.

Molecular Properties

Compound Namephosphane;tris(4-methylphenyl) phosphite
PubChem CID174494653
Molecular FormulaC21H24O3P2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Namephosphane;tris(4-methylphenyl) phosphite
SMILESCc1ccc(OP(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.P
InChIInChI=1S/C21H21O3P.H3P/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;1H3
InChIKeyJYUMCWUWALATSN-UHFFFAOYSA-N
XLogP6.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.37
LogP ≤ 56.43
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

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phenylphosphane;tris(4-methylphenyl) phosphite
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amino (4-methylphenyl) hydrogen phosphite
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[4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite
CID 88850568
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tri(113C)cyclohexatrienyl phosphite
CID 101432390
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CID 57278205
diphenyl (2,4,6-trimethylphenyl) phosphite
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Frequently Asked Questions

What is the IUPAC name of phosphane;tris(4-methylphenyl) phosphite?
The IUPAC name of phosphane;tris(4-methylphenyl) phosphite (CID 174494653) is phosphane;tris(4-methylphenyl) phosphite.
What is the SMILES notation for phosphane;tris(4-methylphenyl) phosphite?
The canonical SMILES for phosphane;tris(4-methylphenyl) phosphite is Cc1ccc(OP(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.P.
What is the InChIKey of phosphane;tris(4-methylphenyl) phosphite?
The InChIKey is JYUMCWUWALATSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O3P.H3P/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;1H3.
What are the key properties of phosphane;tris(4-methylphenyl) phosphite?
phosphane;tris(4-methylphenyl) phosphite has a molecular weight of 386.37 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;tris(4-methylphenyl) phosphite is sourced from PubChem (CID 174494653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).