1-benzyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide

C12H15OP — CID 19744907

IUPAC1-benzyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide
SMILESCC1=CP(=O)(Cc2ccccc2)CC1
InChIInChI=1S/C12H15OP/c1-11-7-8-14(13,9-11)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3
InChIKeyHOSWFGMPYWBJMK-UHFFFAOYSA-N
MW206.23 g/mol
LogP3.86
Rot. Bonds2

About 1-benzyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide

1-benzyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide (PubChem CID 19744907) has the molecular formula C12H15OP and a molecular weight of 206.23 g/mol. Its IUPAC name is 1-benzyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide.

Molecular Properties

Compound Name1-benzyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide
PubChem CID19744907
Molecular FormulaC12H15OP
Molecular Weight206.23 g/mol
Exact Mass206.09
IUPAC Name1-benzyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide
SMILESCC1=CP(=O)(Cc2ccccc2)CC1
InChIInChI=1S/C12H15OP/c1-11-7-8-14(13,9-11)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3
InChIKeyHOSWFGMPYWBJMK-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-benzyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Toluene
CID 1140
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
Butylbenzene
CID 7705
Propylbenzene
CID 7668
trans-beta-METHYLSTYRENE
CID 252325
beta-Methylstyrene
CID 12500
Benzene, ethenyl-, polymer with 1,3-butadiene
CID 62697
Toluene-d8
CID 74861
1H-Phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide
CID 69722
1-Phenyl-2-butene
CID 5356732

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide?
The IUPAC name of 1-benzyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide (CID 19744907) is 1-benzyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide.
What is the SMILES notation for 1-benzyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide?
The canonical SMILES for 1-benzyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide is CC1=CP(=O)(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide?
The InChIKey is HOSWFGMPYWBJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15OP/c1-11-7-8-14(13,9-11)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3.
What are the key properties of 1-benzyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide?
1-benzyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide has a molecular weight of 206.23 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide is sourced from PubChem (CID 19744907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).