1-diphenylphosphoryl-4-methylbenzene

C19H17OP — CID 12550549

IUPAC1-diphenylphosphoryl-4-methylbenzene
SMILESCc1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H17OP/c1-16-12-14-19(15-13-16)21(20,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyFSTTVKGSJLFJAC-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.63
Rot. Bonds3

About 1-diphenylphosphoryl-4-methylbenzene

1-diphenylphosphoryl-4-methylbenzene (PubChem CID 12550549) has the molecular formula C19H17OP and a molecular weight of 292.32 g/mol. Its IUPAC name is 1-diphenylphosphoryl-4-methylbenzene.

Molecular Properties

Compound Name1-diphenylphosphoryl-4-methylbenzene
PubChem CID12550549
Molecular FormulaC19H17OP
Molecular Weight292.32 g/mol
Exact Mass292.10
IUPAC Name1-diphenylphosphoryl-4-methylbenzene
SMILESCc1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H17OP/c1-16-12-14-19(15-13-16)21(20,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyFSTTVKGSJLFJAC-UHFFFAOYSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.63
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-diphenylphosphoryl-4-methylbenzene?
The IUPAC name of 1-diphenylphosphoryl-4-methylbenzene (CID 12550549) is 1-diphenylphosphoryl-4-methylbenzene.
What is the SMILES notation for 1-diphenylphosphoryl-4-methylbenzene?
The canonical SMILES for 1-diphenylphosphoryl-4-methylbenzene is Cc1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-diphenylphosphoryl-4-methylbenzene?
The InChIKey is FSTTVKGSJLFJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17OP/c1-16-12-14-19(15-13-16)21(20,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of 1-diphenylphosphoryl-4-methylbenzene?
1-diphenylphosphoryl-4-methylbenzene has a molecular weight of 292.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-4-methylbenzene is sourced from PubChem (CID 12550549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).