3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide

C12H15OP — CID 23454564

IUPAC3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide
SMILESCC1=CP(=O)(c2ccccc2)CC1C
InChIInChI=1S/C12H15OP/c1-10-8-14(13,9-11(10)2)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3
InChIKeyNIOHJESIBZBMRT-UHFFFAOYSA-N
MW206.23 g/mol
LogP3.23
Rot. Bonds1

About 3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide

3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide (PubChem CID 23454564) has the molecular formula C12H15OP and a molecular weight of 206.23 g/mol. Its IUPAC name is 3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide.

Molecular Properties

Compound Name3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide
PubChem CID23454564
Molecular FormulaC12H15OP
Molecular Weight206.23 g/mol
Exact Mass206.09
IUPAC Name3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide
SMILESCC1=CP(=O)(c2ccccc2)CC1C
InChIInChI=1S/C12H15OP/c1-10-8-14(13,9-11(10)2)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3
InChIKeyNIOHJESIBZBMRT-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 53.23
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 3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide?
The IUPAC name of 3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide (CID 23454564) is 3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide.
What is the SMILES notation for 3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide?
The canonical SMILES for 3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide is CC1=CP(=O)(c2ccccc2)CC1C.
What is the InChIKey of 3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide?
The InChIKey is NIOHJESIBZBMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15OP/c1-10-8-14(13,9-11(10)2)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide?
3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide has a molecular weight of 206.23 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide is sourced from PubChem (CID 23454564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).