[2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite

C37H38O6P2 — CID 142925485

IUPAC[2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite
SMILESCc1cc(C)c(OP(O)Oc2ccccc2C)c(-c2cc(C)cc(C)c2OP(Oc2ccccc2C)Oc2ccccc2C)c1
InChIInChI=1S/C37H38O6P2/c1-24-20-29(6)36(42-44(38)39-33-17-11-8-14-26(33)3)31(22-24)32-23-25(2)21-30(7)37(32)43-45(40-34-18-12-9-15-27(34)4)41-35-19-13-10-16-28(35)5/h8-23,38H,1-7H3
InChIKeyXLZOISKFXRXIFW-UHFFFAOYSA-N
MW640.65 g/mol
LogP10.95
Rot. Bonds11

About [2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite

[2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite (PubChem CID 142925485) has the molecular formula C37H38O6P2 and a molecular weight of 640.65 g/mol. Its IUPAC name is [2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite.

Molecular Properties

Compound Name[2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite
PubChem CID142925485
Molecular FormulaC37H38O6P2
Molecular Weight640.65 g/mol
Exact Mass640.21
IUPAC Name[2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite
SMILESCc1cc(C)c(OP(O)Oc2ccccc2C)c(-c2cc(C)cc(C)c2OP(Oc2ccccc2C)Oc2ccccc2C)c1
InChIInChI=1S/C37H38O6P2/c1-24-20-29(6)36(42-44(38)39-33-17-11-8-14-26(33)3)31(22-24)32-23-25(2)21-30(7)37(32)43-45(40-34-18-12-9-15-27(34)4)41-35-19-13-10-16-28(35)5/h8-23,38H,1-7H3
InChIKeyXLZOISKFXRXIFW-UHFFFAOYSA-N
XLogP10.95
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.65
LogP ≤ 510.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tris(2-methylphenyl) phosphite dichloride
CID 23333528
[2-[2-[bis(2-methylphenoxy)phosphanylmethyl]-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-diphenylphosphane
CID 70947694
diphenyl (2,4,6-trimethylphenyl) phosphite
CID 23454654
[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite
CID 159576556
[1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite;[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite
CID 90856243
bis([1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite);[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite
CID 91340857
[2-[2-bis(2-methylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite
CID 59167149
[2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite
CID 142925487
[2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite
CID 58931668
[2-[2-bis[(4-methylnaphthalen-1-yl)oxy]phosphanyloxy-5-methylphenyl]-4-methylphenyl] bis(4-methylnaphthalen-1-yl) phosphite;ethane
CID 91235074
tris(2,3,5-trimethylphenyl) phosphite
CID 627271
[2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane
CID 141260368

Frequently Asked Questions

What is the IUPAC name of [2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite?
The IUPAC name of [2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite (CID 142925485) is [2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite.
What is the SMILES notation for [2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite?
The canonical SMILES for [2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite is Cc1cc(C)c(OP(O)Oc2ccccc2C)c(-c2cc(C)cc(C)c2OP(Oc2ccccc2C)Oc2ccccc2C)c1.
What is the InChIKey of [2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite?
The InChIKey is XLZOISKFXRXIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38O6P2/c1-24-20-29(6)36(42-44(38)39-33-17-11-8-14-26(33)3)31(22-24)32-23-25(2)21-30(7)37(32)43-45(40-34-18-12-9-15-27(34)4)41-35-19-13-10-16-28(35)5/h8-23,38H,1-7H3.
What are the key properties of [2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite?
[2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite has a molecular weight of 640.65 g/mol, XLogP of 10.95, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite is sourced from PubChem (CID 142925485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).