[2-[2-bis(2-methylphenoxy)phosphanyloxy-5-ethyl-6-methyl-3-propan-2-ylphenyl]-4-ethyl-3-methyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite

C52H60O6P2 — CID 142247322

IUPAC[2-[2-bis(2-methylphenoxy)phosphanyloxy-5-ethyl-6-methyl-3-propan-2-ylphenyl]-4-ethyl-3-methyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite
SMILESCCc1cc(C(C)C)c(OP(Oc2ccccc2C)Oc2ccccc2C)c(-c2c(C)c(CC)cc(C(C)C)c2OP(Oc2ccccc2C)Oc2ccccc2C)c1C
InChIInChI=1S/C52H60O6P2/c1-13-41-31-43(33(3)4)51(57-59(53-45-27-19-15-23-35(45)7)54-46-28-20-16-24-36(46)8)49(39(41)11)50-40(12)42(14-2)32-44(34(5)6)52(50)58-60(55-47-29-21-17-25-37(47)9)56-48-30-22-18-26-38(48)10/h15-34H,13-14H2,1-12H3
InChIKeyGXILCTAXXWKOEM-UHFFFAOYSA-N
MW842.99 g/mol
LogP16.10
Rot. Bonds17

About [2-[2-bis(2-methylphenoxy)phosphanyloxy-5-ethyl-6-methyl-3-propan-2-ylphenyl]-4-ethyl-3-methyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite

[2-[2-bis(2-methylphenoxy)phosphanyloxy-5-ethyl-6-methyl-3-propan-2-ylphenyl]-4-ethyl-3-methyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite (PubChem CID 142247322) has the molecular formula C52H60O6P2 and a molecular weight of 842.99 g/mol. Its IUPAC name is [2-[2-bis(2-methylphenoxy)phosphanyloxy-5-ethyl-6-methyl-3-propan-2-ylphenyl]-4-ethyl-3-methyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite.

Molecular Properties

Compound Name[2-[2-bis(2-methylphenoxy)phosphanyloxy-5-ethyl-6-methyl-3-propan-2-ylphenyl]-4-ethyl-3-methyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite
PubChem CID142247322
Molecular FormulaC52H60O6P2
Molecular Weight842.99 g/mol
Exact Mass842.39
IUPAC Name[2-[2-bis(2-methylphenoxy)phosphanyloxy-5-ethyl-6-methyl-3-propan-2-ylphenyl]-4-ethyl-3-methyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite
SMILESCCc1cc(C(C)C)c(OP(Oc2ccccc2C)Oc2ccccc2C)c(-c2c(C)c(CC)cc(C(C)C)c2OP(Oc2ccccc2C)Oc2ccccc2C)c1C
InChIInChI=1S/C52H60O6P2/c1-13-41-31-43(33(3)4)51(57-59(53-45-27-19-15-23-35(45)7)54-46-28-20-16-24-36(46)8)49(39(41)11)50-40(12)42(14-2)32-44(34(5)6)52(50)58-60(55-47-29-21-17-25-37(47)9)56-48-30-22-18-26-38(48)10/h15-34H,13-14H2,1-12H3
InChIKeyGXILCTAXXWKOEM-UHFFFAOYSA-N
XLogP16.10
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.99
LogP ≤ 516.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-bis(2-methylphenoxy)phosphanyloxy-5-ethyl-6-methyl-3-propan-2-ylphenyl]-4-ethyl-3-methyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite?
The IUPAC name of [2-[2-bis(2-methylphenoxy)phosphanyloxy-5-ethyl-6-methyl-3-propan-2-ylphenyl]-4-ethyl-3-methyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite (CID 142247322) is [2-[2-bis(2-methylphenoxy)phosphanyloxy-5-ethyl-6-methyl-3-propan-2-ylphenyl]-4-ethyl-3-methyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite.
What is the SMILES notation for [2-[2-bis(2-methylphenoxy)phosphanyloxy-5-ethyl-6-methyl-3-propan-2-ylphenyl]-4-ethyl-3-methyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite?
The canonical SMILES for [2-[2-bis(2-methylphenoxy)phosphanyloxy-5-ethyl-6-methyl-3-propan-2-ylphenyl]-4-ethyl-3-methyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite is CCc1cc(C(C)C)c(OP(Oc2ccccc2C)Oc2ccccc2C)c(-c2c(C)c(CC)cc(C(C)C)c2OP(Oc2ccccc2C)Oc2ccccc2C)c1C.
What is the InChIKey of [2-[2-bis(2-methylphenoxy)phosphanyloxy-5-ethyl-6-methyl-3-propan-2-ylphenyl]-4-ethyl-3-methyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite?
The InChIKey is GXILCTAXXWKOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H60O6P2/c1-13-41-31-43(33(3)4)51(57-59(53-45-27-19-15-23-35(45)7)54-46-28-20-16-24-36(46)8)49(39(41)11)50-40(12)42(14-2)32-44(34(5)6)52(50)58-60(55-47-29-21-17-25-37(47)9)56-48-30-22-18-26-38(48)10/h15-34H,13-14H2,1-12H3.
What are the key properties of [2-[2-bis(2-methylphenoxy)phosphanyloxy-5-ethyl-6-methyl-3-propan-2-ylphenyl]-4-ethyl-3-methyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite?
[2-[2-bis(2-methylphenoxy)phosphanyloxy-5-ethyl-6-methyl-3-propan-2-ylphenyl]-4-ethyl-3-methyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite has a molecular weight of 842.99 g/mol, XLogP of 16.10, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-bis(2-methylphenoxy)phosphanyloxy-5-ethyl-6-methyl-3-propan-2-ylphenyl]-4-ethyl-3-methyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite is sourced from PubChem (CID 142247322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).