bis(4-methylphenyl) propan-2-yl phosphite

C17H21O3P — CID 155662837

IUPACbis(4-methylphenyl) propan-2-yl phosphite
SMILESCc1ccc(OP(Oc2ccc(C)cc2)OC(C)C)cc1
InChIInChI=1S/C17H21O3P/c1-13(2)18-21(19-16-9-5-14(3)6-10-16)20-17-11-7-15(4)8-12-17/h5-13H,1-4H3
InChIKeyKXUCPTUFPJXAKI-UHFFFAOYSA-N
MW304.33 g/mol
LogP5.41
Rot. Bonds6

About bis(4-methylphenyl) propan-2-yl phosphite

bis(4-methylphenyl) propan-2-yl phosphite (PubChem CID 155662837) has the molecular formula C17H21O3P and a molecular weight of 304.33 g/mol. Its IUPAC name is bis(4-methylphenyl) propan-2-yl phosphite.

Molecular Properties

Compound Namebis(4-methylphenyl) propan-2-yl phosphite
PubChem CID155662837
Molecular FormulaC17H21O3P
Molecular Weight304.33 g/mol
Exact Mass304.12
IUPAC Namebis(4-methylphenyl) propan-2-yl phosphite
SMILESCc1ccc(OP(Oc2ccc(C)cc2)OC(C)C)cc1
InChIInChI=1S/C17H21O3P/c1-13(2)18-21(19-16-9-5-14(3)6-10-16)20-17-11-7-15(4)8-12-17/h5-13H,1-4H3
InChIKeyKXUCPTUFPJXAKI-UHFFFAOYSA-N
XLogP5.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.33
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phosphane;tris(4-methylphenyl) phosphite
CID 174494653
formaldehyde;ruthenium(4+);bis(tris(4-methylphenyl) phosphite);tetrachloride
CID 23462594
phenylphosphane;tris(4-methylphenyl) phosphite
CID 174790413
amino (4-methylphenyl) hydrogen phosphite
CID 143793630
cobalt;tripropan-2-yl phosphite
CID 175896800
[4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite
CID 88850568
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
triphenyl phosphite
CID 7540
(4-methylphenoxy)-propan-2-ylsilane
CID 161303788
ethoxy-ethyl-(4-methylphenoxy)phosphane
CID 57278205
1,1-dichloroethane;1,4-xylene
CID 70558607

Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl) propan-2-yl phosphite?
The IUPAC name of bis(4-methylphenyl) propan-2-yl phosphite (CID 155662837) is bis(4-methylphenyl) propan-2-yl phosphite.
What is the SMILES notation for bis(4-methylphenyl) propan-2-yl phosphite?
The canonical SMILES for bis(4-methylphenyl) propan-2-yl phosphite is Cc1ccc(OP(Oc2ccc(C)cc2)OC(C)C)cc1.
What is the InChIKey of bis(4-methylphenyl) propan-2-yl phosphite?
The InChIKey is KXUCPTUFPJXAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21O3P/c1-13(2)18-21(19-16-9-5-14(3)6-10-16)20-17-11-7-15(4)8-12-17/h5-13H,1-4H3.
What are the key properties of bis(4-methylphenyl) propan-2-yl phosphite?
bis(4-methylphenyl) propan-2-yl phosphite has a molecular weight of 304.33 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl) propan-2-yl phosphite is sourced from PubChem (CID 155662837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).