3,4-dimethyl-1-phenylphospholane

C12H17P — CID 11732644

IUPAC3,4-dimethyl-1-phenylphospholane
SMILESCC1CP(c2ccccc2)CC1C
InChIInChI=1S/C12H17P/c1-10-8-13(9-11(10)2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyXTJGFLMZBPVQEH-UHFFFAOYSA-N
MW192.24 g/mol
LogP3.08
Rot. Bonds1

About 3,4-dimethyl-1-phenylphospholane

3,4-dimethyl-1-phenylphospholane (PubChem CID 11732644) has the molecular formula C12H17P and a molecular weight of 192.24 g/mol. Its IUPAC name is 3,4-dimethyl-1-phenylphospholane.

Molecular Properties

Compound Name3,4-dimethyl-1-phenylphospholane
PubChem CID11732644
Molecular FormulaC12H17P
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name3,4-dimethyl-1-phenylphospholane
SMILESCC1CP(c2ccccc2)CC1C
InChIInChI=1S/C12H17P/c1-10-8-13(9-11(10)2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyXTJGFLMZBPVQEH-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 11732643
CID 11732643
1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane
CID 132567195
(2S,3S)-2,3-dimethyl-1-phenylphosphirane
CID 10844752
1,5-diphenyl-1,5-diphosphocane
CID 14738745
2,4-dimethyl-1-phenylphosphetane
CID 23418540
3-methyl-1-phenyl-1,4,7-triphosphecane
CID 16686339
1-methyl-4-phenyl-1,4-azaphosphinane
CID 71365636
2,2,6,6-tetramethyl-4-phenyl-1,4-azaphosphinane
CID 91597144
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
2,5-dimethyl-1-phenyl-2,3-dihydrophosphole
CID 12706078
1-phenylphosphinane-4-carboxylic acid
CID 143517103
1,2,3-triphenyltriphosphirane
CID 15826924

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-phenylphospholane?
The IUPAC name of 3,4-dimethyl-1-phenylphospholane (CID 11732644) is 3,4-dimethyl-1-phenylphospholane.
What is the SMILES notation for 3,4-dimethyl-1-phenylphospholane?
The canonical SMILES for 3,4-dimethyl-1-phenylphospholane is CC1CP(c2ccccc2)CC1C.
What is the InChIKey of 3,4-dimethyl-1-phenylphospholane?
The InChIKey is XTJGFLMZBPVQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17P/c1-10-8-13(9-11(10)2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-phenylphospholane?
3,4-dimethyl-1-phenylphospholane has a molecular weight of 192.24 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-phenylphospholane is sourced from PubChem (CID 11732644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).