[2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite

C42H38O12P2 — CID 58931610

IUPAC[2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite
SMILESCOc1ccc(C(=O)c2ccccc2OP(Oc2ccccc2OC)Oc2ccccc2OC)c(OP(Oc2ccccc2OC)Oc2ccccc2OC)c1
InChIInChI=1S/C42H38O12P2/c1-44-29-26-27-31(41(28-29)54-56(52-39-24-14-10-20-35(39)47-4)53-40-25-15-11-21-36(40)48-5)42(43)30-16-6-7-17-32(30)49-55(50-37-22-12-8-18-33(37)45-2)51-38-23-13-9-19-34(38)46-3/h6-28H,1-5H3
InChIKeyHESCPGUGFRAZGZ-UHFFFAOYSA-N
MW796.70 g/mol
LogP10.49
Rot. Bonds19

About [2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite

[2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite (PubChem CID 58931610) has the molecular formula C42H38O12P2 and a molecular weight of 796.70 g/mol. Its IUPAC name is [2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite.

Molecular Properties

Compound Name[2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite
PubChem CID58931610
Molecular FormulaC42H38O12P2
Molecular Weight796.70 g/mol
Exact Mass796.18
IUPAC Name[2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite
SMILESCOc1ccc(C(=O)c2ccccc2OP(Oc2ccccc2OC)Oc2ccccc2OC)c(OP(Oc2ccccc2OC)Oc2ccccc2OC)c1
InChIInChI=1S/C42H38O12P2/c1-44-29-26-27-31(41(28-29)54-56(52-39-24-14-10-20-35(39)47-4)53-40-25-15-11-21-36(40)48-5)42(43)30-16-6-7-17-32(30)49-55(50-37-22-12-8-18-33(37)45-2)51-38-23-13-9-19-34(38)46-3/h6-28H,1-5H3
InChIKeyHESCPGUGFRAZGZ-UHFFFAOYSA-N
XLogP10.49
TPSA118.60 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500796.70
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite
CID 58931668
[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-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172
[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
(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 105079993
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
CID 15888023

Frequently Asked Questions

What is the IUPAC name of [2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite?
The IUPAC name of [2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite (CID 58931610) is [2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite.
What is the SMILES notation for [2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite?
The canonical SMILES for [2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite is COc1ccc(C(=O)c2ccccc2OP(Oc2ccccc2OC)Oc2ccccc2OC)c(OP(Oc2ccccc2OC)Oc2ccccc2OC)c1.
What is the InChIKey of [2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite?
The InChIKey is HESCPGUGFRAZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38O12P2/c1-44-29-26-27-31(41(28-29)54-56(52-39-24-14-10-20-35(39)47-4)53-40-25-15-11-21-36(40)48-5)42(43)30-16-6-7-17-32(30)49-55(50-37-22-12-8-18-33(37)45-2)51-38-23-13-9-19-34(38)46-3/h6-28H,1-5H3.
What are the key properties of [2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite?
[2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite has a molecular weight of 796.70 g/mol, XLogP of 10.49, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite is sourced from PubChem (CID 58931610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).