1-bis(3-methylphenyl)phosphoryl-3-methylbenzene

C21H21OP — CID 10969251

IUPAC1-bis(3-methylphenyl)phosphoryl-3-methylbenzene
SMILESCc1cccc(P(=O)(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C21H21OP/c1-16-7-4-10-19(13-16)23(22,20-11-5-8-17(2)14-20)21-12-6-9-18(3)15-21/h4-15H,1-3H3
InChIKeyRJUIEUJUSTTWFW-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.25
Rot. Bonds3

About 1-bis(3-methylphenyl)phosphoryl-3-methylbenzene

1-bis(3-methylphenyl)phosphoryl-3-methylbenzene (PubChem CID 10969251) has the molecular formula C21H21OP and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-bis(3-methylphenyl)phosphoryl-3-methylbenzene.

Molecular Properties

Compound Name1-bis(3-methylphenyl)phosphoryl-3-methylbenzene
PubChem CID10969251
Molecular FormulaC21H21OP
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC Name1-bis(3-methylphenyl)phosphoryl-3-methylbenzene
SMILESCc1cccc(P(=O)(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C21H21OP/c1-16-7-4-10-19(13-16)23(22,20-11-5-8-17(2)14-20)21-12-6-9-18(3)15-21/h4-15H,1-3H3
InChIKeyRJUIEUJUSTTWFW-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.25
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 1-bis(3-methylphenyl)phosphoryl-3-methylbenzene?
The IUPAC name of 1-bis(3-methylphenyl)phosphoryl-3-methylbenzene (CID 10969251) is 1-bis(3-methylphenyl)phosphoryl-3-methylbenzene.
What is the SMILES notation for 1-bis(3-methylphenyl)phosphoryl-3-methylbenzene?
The canonical SMILES for 1-bis(3-methylphenyl)phosphoryl-3-methylbenzene is Cc1cccc(P(=O)(c2cccc(C)c2)c2cccc(C)c2)c1.
What is the InChIKey of 1-bis(3-methylphenyl)phosphoryl-3-methylbenzene?
The InChIKey is RJUIEUJUSTTWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21OP/c1-16-7-4-10-19(13-16)23(22,20-11-5-8-17(2)14-20)21-12-6-9-18(3)15-21/h4-15H,1-3H3.
What are the key properties of 1-bis(3-methylphenyl)phosphoryl-3-methylbenzene?
1-bis(3-methylphenyl)phosphoryl-3-methylbenzene has a molecular weight of 320.37 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(3-methylphenyl)phosphoryl-3-methylbenzene is sourced from PubChem (CID 10969251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).