[2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite

C43H40O9P2 — CID 58931668

IUPAC[2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite
SMILESCOc1ccc(C(=O)c2ccc(OC)cc2OP(Oc2ccccc2C)Oc2ccccc2C)c(OP(Oc2ccccc2C)Oc2ccccc2C)c1
InChIInChI=1S/C43H40O9P2/c1-29-15-7-11-19-37(29)47-53(48-38-20-12-8-16-30(38)2)51-41-27-33(45-5)23-25-35(41)43(44)36-26-24-34(46-6)28-42(36)52-54(49-39-21-13-9-17-31(39)3)50-40-22-14-10-18-32(40)4/h7-28H,1-6H3
InChIKeyXPIVFSPJXVWBJH-UHFFFAOYSA-N
MW762.73 g/mol
LogP11.70
Rot. Bonds16

About [2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite

[2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite (PubChem CID 58931668) has the molecular formula C43H40O9P2 and a molecular weight of 762.73 g/mol. Its IUPAC name is [2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite.

Molecular Properties

Compound Name[2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite
PubChem CID58931668
Molecular FormulaC43H40O9P2
Molecular Weight762.73 g/mol
Exact Mass762.21
IUPAC Name[2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite
SMILESCOc1ccc(C(=O)c2ccc(OC)cc2OP(Oc2ccccc2C)Oc2ccccc2C)c(OP(Oc2ccccc2C)Oc2ccccc2C)c1
InChIInChI=1S/C43H40O9P2/c1-29-15-7-11-19-37(29)47-53(48-38-20-12-8-16-30(38)2)51-41-27-33(45-5)23-25-35(41)43(44)36-26-24-34(46-6)28-42(36)52-54(49-39-21-13-9-17-31(39)3)50-40-22-14-10-18-32(40)4/h7-28H,1-6H3
InChIKeyXPIVFSPJXVWBJH-UHFFFAOYSA-N
XLogP11.70
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.73
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite
CID 58931610
[2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite
CID 89185095
[2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite
CID 58931598
[2-[2-bis(2-tert-butylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] (2-tert-butylphenyl) (2-propan-2-ylphenyl) phosphite
CID 58640381
bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite
CID 58610847
tris(2-methylphenyl) phosphite dichloride
CID 23333528
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
2,4-dimethoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 793888
(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 105079993
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569

Frequently Asked Questions

What is the IUPAC name of [2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite?
The IUPAC name of [2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite (CID 58931668) is [2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite.
What is the SMILES notation for [2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite?
The canonical SMILES for [2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite is COc1ccc(C(=O)c2ccc(OC)cc2OP(Oc2ccccc2C)Oc2ccccc2C)c(OP(Oc2ccccc2C)Oc2ccccc2C)c1.
What is the InChIKey of [2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite?
The InChIKey is XPIVFSPJXVWBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40O9P2/c1-29-15-7-11-19-37(29)47-53(48-38-20-12-8-16-30(38)2)51-41-27-33(45-5)23-25-35(41)43(44)36-26-24-34(46-6)28-42(36)52-54(49-39-21-13-9-17-31(39)3)50-40-22-14-10-18-32(40)4/h7-28H,1-6H3.
What are the key properties of [2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite?
[2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite has a molecular weight of 762.73 g/mol, XLogP of 11.70, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite is sourced from PubChem (CID 58931668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).