2,5-bis(2-methylphenyl)-1-propylphospholane

C21H27P — CID 90109691

IUPAC2,5-bis(2-methylphenyl)-1-propylphospholane
SMILESCCCP1C(c2ccccc2C)CCC1c1ccccc1C
InChIInChI=1S/C21H27P/c1-4-15-22-20(18-11-7-5-9-16(18)2)13-14-21(22)19-12-8-6-10-17(19)3/h5-12,20-21H,4,13-15H2,1-3H3
InChIKeyLRJFZQJDWRSMGB-UHFFFAOYSA-N
MW310.42 g/mol
LogP6.77
Rot. Bonds4

About 2,5-bis(2-methylphenyl)-1-propylphospholane

2,5-bis(2-methylphenyl)-1-propylphospholane (PubChem CID 90109691) has the molecular formula C21H27P and a molecular weight of 310.42 g/mol. Its IUPAC name is 2,5-bis(2-methylphenyl)-1-propylphospholane.

Molecular Properties

Compound Name2,5-bis(2-methylphenyl)-1-propylphospholane
PubChem CID90109691
Molecular FormulaC21H27P
Molecular Weight310.42 g/mol
Exact Mass310.19
IUPAC Name2,5-bis(2-methylphenyl)-1-propylphospholane
SMILESCCCP1C(c2ccccc2C)CCC1c1ccccc1C
InChIInChI=1S/C21H27P/c1-4-15-22-20(18-11-7-5-9-16(18)2)13-14-21(22)19-12-8-6-10-17(19)3/h5-12,20-21H,4,13-15H2,1-3H3
InChIKeyLRJFZQJDWRSMGB-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methylphenyl)-1-propylphospholane?
The IUPAC name of 2,5-bis(2-methylphenyl)-1-propylphospholane (CID 90109691) is 2,5-bis(2-methylphenyl)-1-propylphospholane.
What is the SMILES notation for 2,5-bis(2-methylphenyl)-1-propylphospholane?
The canonical SMILES for 2,5-bis(2-methylphenyl)-1-propylphospholane is CCCP1C(c2ccccc2C)CCC1c1ccccc1C.
What is the InChIKey of 2,5-bis(2-methylphenyl)-1-propylphospholane?
The InChIKey is LRJFZQJDWRSMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27P/c1-4-15-22-20(18-11-7-5-9-16(18)2)13-14-21(22)19-12-8-6-10-17(19)3/h5-12,20-21H,4,13-15H2,1-3H3.
What are the key properties of 2,5-bis(2-methylphenyl)-1-propylphospholane?
2,5-bis(2-methylphenyl)-1-propylphospholane has a molecular weight of 310.42 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylphenyl)-1-propylphospholane is sourced from PubChem (CID 90109691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).