1-benzyl-2,5-dihydro-1lambda5-phosphole 1-oxide

C11H13OP — CID 643541

IUPAC1-benzyl-2,5-dihydro-1lambda5-phosphole 1-oxide
SMILESO=P1(Cc2ccccc2)CC=CC1
InChIInChI=1S/C11H13OP/c12-13(8-4-5-9-13)10-11-6-2-1-3-7-11/h1-7H,8-10H2
InChIKeyVPGIFQCEABAPFS-UHFFFAOYSA-N
MW192.20 g/mol
LogP3.12
Rot. Bonds2

About 1-benzyl-2,5-dihydro-1lambda5-phosphole 1-oxide

1-benzyl-2,5-dihydro-1lambda5-phosphole 1-oxide (PubChem CID 643541) has the molecular formula C11H13OP and a molecular weight of 192.20 g/mol. Its IUPAC name is 1-benzyl-2,5-dihydro-1lambda5-phosphole 1-oxide.

Molecular Properties

Compound Name1-benzyl-2,5-dihydro-1lambda5-phosphole 1-oxide
PubChem CID643541
Molecular FormulaC11H13OP
Molecular Weight192.20 g/mol
Exact Mass192.07
IUPAC Name1-benzyl-2,5-dihydro-1lambda5-phosphole 1-oxide
SMILESO=P1(Cc2ccccc2)CC=CC1
InChIInChI=1S/C11H13OP/c12-13(8-4-5-9-13)10-11-6-2-1-3-7-11/h1-7H,8-10H2
InChIKeyVPGIFQCEABAPFS-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dihydro-1lambda5-phosphole 1-oxide?
The IUPAC name of 1-benzyl-2,5-dihydro-1lambda5-phosphole 1-oxide (CID 643541) is 1-benzyl-2,5-dihydro-1lambda5-phosphole 1-oxide.
What is the SMILES notation for 1-benzyl-2,5-dihydro-1lambda5-phosphole 1-oxide?
The canonical SMILES for 1-benzyl-2,5-dihydro-1lambda5-phosphole 1-oxide is O=P1(Cc2ccccc2)CC=CC1.
What is the InChIKey of 1-benzyl-2,5-dihydro-1lambda5-phosphole 1-oxide?
The InChIKey is VPGIFQCEABAPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13OP/c12-13(8-4-5-9-13)10-11-6-2-1-3-7-11/h1-7H,8-10H2.
What are the key properties of 1-benzyl-2,5-dihydro-1lambda5-phosphole 1-oxide?
1-benzyl-2,5-dihydro-1lambda5-phosphole 1-oxide has a molecular weight of 192.20 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dihydro-1lambda5-phosphole 1-oxide is sourced from PubChem (CID 643541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).