1-benzyl-2,5-dihydrophosphole

C11H13P — CID 23279889

IUPAC1-benzyl-2,5-dihydrophosphole
SMILESC1=CCP(Cc2ccccc2)C1
InChIInChI=1S/C11H13P/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-7H,8-10H2
InChIKeyPHHWBUOOXJISAH-UHFFFAOYSA-N
MW176.20 g/mol
LogP3.24
Rot. Bonds2

About 1-benzyl-2,5-dihydrophosphole

1-benzyl-2,5-dihydrophosphole (PubChem CID 23279889) has the molecular formula C11H13P and a molecular weight of 176.20 g/mol. Its IUPAC name is 1-benzyl-2,5-dihydrophosphole.

Molecular Properties

Compound Name1-benzyl-2,5-dihydrophosphole
PubChem CID23279889
Molecular FormulaC11H13P
Molecular Weight176.20 g/mol
Exact Mass176.08
IUPAC Name1-benzyl-2,5-dihydrophosphole
SMILESC1=CCP(Cc2ccccc2)C1
InChIInChI=1S/C11H13P/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-7H,8-10H2
InChIKeyPHHWBUOOXJISAH-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dihydrophosphole?
The IUPAC name of 1-benzyl-2,5-dihydrophosphole (CID 23279889) is 1-benzyl-2,5-dihydrophosphole.
What is the SMILES notation for 1-benzyl-2,5-dihydrophosphole?
The canonical SMILES for 1-benzyl-2,5-dihydrophosphole is C1=CCP(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-2,5-dihydrophosphole?
The InChIKey is PHHWBUOOXJISAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13P/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-7H,8-10H2.
What are the key properties of 1-benzyl-2,5-dihydrophosphole?
1-benzyl-2,5-dihydrophosphole has a molecular weight of 176.20 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dihydrophosphole is sourced from PubChem (CID 23279889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).