tris(2-methylphenyl) phosphite dichloride

C21H21Cl2O3P-2 — CID 23333528

IUPACtris(2-methylphenyl) phosphite dichloride
SMILESCc1ccccc1OP(Oc1ccccc1C)Oc1ccccc1C.[Cl-].[Cl-]
InChIInChI=1S/C21H21O3P.2ClH/c1-16-10-4-7-13-19(16)22-25(23-20-14-8-5-11-17(20)2)24-21-15-9-6-12-18(21)3;;/h4-15H,1-3H3;2*1H/p-2
InChIKeyDBLLQROLCMTZJP-UHFFFAOYSA-L
MW423.28 g/mol
LogP0.38
Rot. Bonds6

About tris(2-methylphenyl) phosphite dichloride

tris(2-methylphenyl) phosphite dichloride (PubChem CID 23333528) has the molecular formula C21H21Cl2O3P-2 and a molecular weight of 423.28 g/mol. Its IUPAC name is tris(2-methylphenyl) phosphite dichloride.

Molecular Properties

Compound Nametris(2-methylphenyl) phosphite dichloride
PubChem CID23333528
Molecular FormulaC21H21Cl2O3P-2
Molecular Weight423.28 g/mol
Exact Mass422.06
IUPAC Nametris(2-methylphenyl) phosphite dichloride
SMILESCc1ccccc1OP(Oc1ccccc1C)Oc1ccccc1C.[Cl-].[Cl-]
InChIInChI=1S/C21H21O3P.2ClH/c1-16-10-4-7-13-19(16)22-25(23-20-14-8-5-11-17(20)2)24-21-15-9-6-12-18(21)3;;/h4-15H,1-3H3;2*1H/p-2
InChIKeyDBLLQROLCMTZJP-UHFFFAOYSA-L
XLogP0.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.28
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tris(2-methylphenyl) phosphite dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite
CID 58931668
[2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane
CID 141260368
[2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite
CID 142925485
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
methoxy-(2-methylphenoxy)-phenylphosphane
CID 174536732
[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-methylphenoxy)methanone
CID 20594594
methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene
CID 162159087
tris(1-methoxy-2-methylbenzene);propane
CID 158759517
1,2-xylene
CID 173422016

Frequently Asked Questions

What is the IUPAC name of tris(2-methylphenyl) phosphite dichloride?
The IUPAC name of tris(2-methylphenyl) phosphite dichloride (CID 23333528) is tris(2-methylphenyl) phosphite dichloride.
What is the SMILES notation for tris(2-methylphenyl) phosphite dichloride?
The canonical SMILES for tris(2-methylphenyl) phosphite dichloride is Cc1ccccc1OP(Oc1ccccc1C)Oc1ccccc1C.[Cl-].[Cl-].
What is the InChIKey of tris(2-methylphenyl) phosphite dichloride?
The InChIKey is DBLLQROLCMTZJP-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H21O3P.2ClH/c1-16-10-4-7-13-19(16)22-25(23-20-14-8-5-11-17(20)2)24-21-15-9-6-12-18(21)3;;/h4-15H,1-3H3;2*1H/p-2.
What are the key properties of tris(2-methylphenyl) phosphite dichloride?
tris(2-methylphenyl) phosphite dichloride has a molecular weight of 423.28 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylphenyl) phosphite dichloride is sourced from PubChem (CID 23333528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).