4-bis(3,5-dimethylphenyl)phosphoryl-1,2-dimethylbenzene

C24H27OP — CID 132583312

IUPAC4-bis(3,5-dimethylphenyl)phosphoryl-1,2-dimethylbenzene
SMILESCc1cc(C)cc(P(=O)(c2cc(C)cc(C)c2)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C24H27OP/c1-16-9-17(2)12-23(11-16)26(25,22-8-7-20(5)21(6)15-22)24-13-18(3)10-19(4)14-24/h7-15H,1-6H3
InChIKeyKPLYGAXWYZIVMN-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.18
Rot. Bonds3

About 4-bis(3,5-dimethylphenyl)phosphoryl-1,2-dimethylbenzene

4-bis(3,5-dimethylphenyl)phosphoryl-1,2-dimethylbenzene (PubChem CID 132583312) has the molecular formula C24H27OP and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-bis(3,5-dimethylphenyl)phosphoryl-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-bis(3,5-dimethylphenyl)phosphoryl-1,2-dimethylbenzene
PubChem CID132583312
Molecular FormulaC24H27OP
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC Name4-bis(3,5-dimethylphenyl)phosphoryl-1,2-dimethylbenzene
SMILESCc1cc(C)cc(P(=O)(c2cc(C)cc(C)c2)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C24H27OP/c1-16-9-17(2)12-23(11-16)26(25,22-8-7-20(5)21(6)15-22)24-13-18(3)10-19(4)14-24/h7-15H,1-6H3
InChIKeyKPLYGAXWYZIVMN-UHFFFAOYSA-N
XLogP5.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bis(3,5-dimethylphenyl)phosphoryl-1,2-dimethylbenzene?
The IUPAC name of 4-bis(3,5-dimethylphenyl)phosphoryl-1,2-dimethylbenzene (CID 132583312) is 4-bis(3,5-dimethylphenyl)phosphoryl-1,2-dimethylbenzene.
What is the SMILES notation for 4-bis(3,5-dimethylphenyl)phosphoryl-1,2-dimethylbenzene?
The canonical SMILES for 4-bis(3,5-dimethylphenyl)phosphoryl-1,2-dimethylbenzene is Cc1cc(C)cc(P(=O)(c2cc(C)cc(C)c2)c2ccc(C)c(C)c2)c1.
What is the InChIKey of 4-bis(3,5-dimethylphenyl)phosphoryl-1,2-dimethylbenzene?
The InChIKey is KPLYGAXWYZIVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27OP/c1-16-9-17(2)12-23(11-16)26(25,22-8-7-20(5)21(6)15-22)24-13-18(3)10-19(4)14-24/h7-15H,1-6H3.
What are the key properties of 4-bis(3,5-dimethylphenyl)phosphoryl-1,2-dimethylbenzene?
4-bis(3,5-dimethylphenyl)phosphoryl-1,2-dimethylbenzene has a molecular weight of 362.45 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bis(3,5-dimethylphenyl)phosphoryl-1,2-dimethylbenzene is sourced from PubChem (CID 132583312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).