2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one

C25H25OP — CID 21018065

IUPAC2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one
SMILESCc1ccccc1C1CC(=O)CC(c2ccccc2C)P1c1ccccc1
InChIInChI=1S/C25H25OP/c1-18-10-6-8-14-22(18)24-16-20(26)17-25(23-15-9-7-11-19(23)2)27(24)21-12-4-3-5-13-21/h3-15,24-25H,16-17H2,1-2H3
InChIKeyCWQYOQWCPSUHAW-UHFFFAOYSA-N
MW372.45 g/mol
LogP6.26
Rot. Bonds3

About 2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one

2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one (PubChem CID 21018065) has the molecular formula C25H25OP and a molecular weight of 372.45 g/mol. Its IUPAC name is 2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one.

Molecular Properties

Compound Name2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one
PubChem CID21018065
Molecular FormulaC25H25OP
Molecular Weight372.45 g/mol
Exact Mass372.16
IUPAC Name2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one
SMILESCc1ccccc1C1CC(=O)CC(c2ccccc2C)P1c1ccccc1
InChIInChI=1S/C25H25OP/c1-18-10-6-8-14-22(18)24-16-20(26)17-25(23-15-9-7-11-19(23)2)27(24)21-12-4-3-5-13-21/h3-15,24-25H,16-17H2,1-2H3
InChIKeyCWQYOQWCPSUHAW-UHFFFAOYSA-N
XLogP6.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.45
LogP ≤ 56.26
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 2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one?
The IUPAC name of 2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one (CID 21018065) is 2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one.
What is the SMILES notation for 2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one?
The canonical SMILES for 2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one is Cc1ccccc1C1CC(=O)CC(c2ccccc2C)P1c1ccccc1.
What is the InChIKey of 2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one?
The InChIKey is CWQYOQWCPSUHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25OP/c1-18-10-6-8-14-22(18)24-16-20(26)17-25(23-15-9-7-11-19(23)2)27(24)21-12-4-3-5-13-21/h3-15,24-25H,16-17H2,1-2H3.
What are the key properties of 2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one?
2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one has a molecular weight of 372.45 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one is sourced from PubChem (CID 21018065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).