1-(2-diphenylphosphorylphenyl)-2-methylbenzene

C25H21OP — CID 15531741

IUPAC1-(2-diphenylphosphorylphenyl)-2-methylbenzene
SMILESCc1ccccc1-c1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21OP/c1-20-12-8-9-17-23(20)24-18-10-11-19-25(24)27(26,21-13-4-2-5-14-21)22-15-6-3-7-16-22/h2-19H,1H3
InChIKeyQMSQAQGSQATWAW-UHFFFAOYSA-N
MW368.42 g/mol
LogP5.30
Rot. Bonds4

About 1-(2-diphenylphosphorylphenyl)-2-methylbenzene

1-(2-diphenylphosphorylphenyl)-2-methylbenzene (PubChem CID 15531741) has the molecular formula C25H21OP and a molecular weight of 368.42 g/mol. Its IUPAC name is 1-(2-diphenylphosphorylphenyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(2-diphenylphosphorylphenyl)-2-methylbenzene
PubChem CID15531741
Molecular FormulaC25H21OP
Molecular Weight368.42 g/mol
Exact Mass368.13
IUPAC Name1-(2-diphenylphosphorylphenyl)-2-methylbenzene
SMILESCc1ccccc1-c1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21OP/c1-20-12-8-9-17-23(20)24-18-10-11-19-25(24)27(26,21-13-4-2-5-14-21)22-15-6-3-7-16-22/h2-19H,1H3
InChIKeyQMSQAQGSQATWAW-UHFFFAOYSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.42
LogP ≤ 55.30
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-(2-diphenylphosphorylphenyl)-2-methylbenzene?
The IUPAC name of 1-(2-diphenylphosphorylphenyl)-2-methylbenzene (CID 15531741) is 1-(2-diphenylphosphorylphenyl)-2-methylbenzene.
What is the SMILES notation for 1-(2-diphenylphosphorylphenyl)-2-methylbenzene?
The canonical SMILES for 1-(2-diphenylphosphorylphenyl)-2-methylbenzene is Cc1ccccc1-c1ccccc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-diphenylphosphorylphenyl)-2-methylbenzene?
The InChIKey is QMSQAQGSQATWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21OP/c1-20-12-8-9-17-23(20)24-18-10-11-19-25(24)27(26,21-13-4-2-5-14-21)22-15-6-3-7-16-22/h2-19H,1H3.
What are the key properties of 1-(2-diphenylphosphorylphenyl)-2-methylbenzene?
1-(2-diphenylphosphorylphenyl)-2-methylbenzene has a molecular weight of 368.42 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphorylphenyl)-2-methylbenzene is sourced from PubChem (CID 15531741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).