2-(2-chloropropan-2-yl)-1-phenylphospholane

C13H18ClP — CID 91482141

IUPAC2-(2-chloropropan-2-yl)-1-phenylphospholane
SMILESCC(C)(Cl)C1CCCP1c1ccccc1
InChIInChI=1S/C13H18ClP/c1-13(2,14)12-9-6-10-15(12)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyJAMYKWDOLPKFME-UHFFFAOYSA-N
MW240.71 g/mol
LogP3.97
Rot. Bonds2

About 2-(2-chloropropan-2-yl)-1-phenylphospholane

2-(2-chloropropan-2-yl)-1-phenylphospholane (PubChem CID 91482141) has the molecular formula C13H18ClP and a molecular weight of 240.71 g/mol. Its IUPAC name is 2-(2-chloropropan-2-yl)-1-phenylphospholane.

Molecular Properties

Compound Name2-(2-chloropropan-2-yl)-1-phenylphospholane
PubChem CID91482141
Molecular FormulaC13H18ClP
Molecular Weight240.71 g/mol
Exact Mass240.08
IUPAC Name2-(2-chloropropan-2-yl)-1-phenylphospholane
SMILESCC(C)(Cl)C1CCCP1c1ccccc1
InChIInChI=1S/C13H18ClP/c1-13(2,14)12-9-6-10-15(12)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyJAMYKWDOLPKFME-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-(1-phenylphospholan-2-yl)stannane
CID 177488803
trimethyl-[(2R)-1-phenylphospholan-2-yl]stannane
CID 177447932
(1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine
CID 163198375
2-diphenylphosphoryl-1-phenylphospholane
CID 101412404
2-(1-phenylphospholan-2-yl)ethanol
CID 87485021
CID 173497582
CID 173497582
diphenyl-[1-[(1S)-1-phenylphospholan-2-yl]propan-2-yl]phosphane
CID 91490577
1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane
CID 90110759
(2R,3S)-2,3-diphenyl-1,3-oxaphosphinane
CID 23414358
(1S)-N-(3,5-dimethylphenyl)-1-phenylphosphinan-2-amine
CID 155898598
1,5-diphenyl-1,5-diphosphocane
CID 14738745
1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane
CID 132567195

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropropan-2-yl)-1-phenylphospholane?
The IUPAC name of 2-(2-chloropropan-2-yl)-1-phenylphospholane (CID 91482141) is 2-(2-chloropropan-2-yl)-1-phenylphospholane.
What is the SMILES notation for 2-(2-chloropropan-2-yl)-1-phenylphospholane?
The canonical SMILES for 2-(2-chloropropan-2-yl)-1-phenylphospholane is CC(C)(Cl)C1CCCP1c1ccccc1.
What is the InChIKey of 2-(2-chloropropan-2-yl)-1-phenylphospholane?
The InChIKey is JAMYKWDOLPKFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClP/c1-13(2,14)12-9-6-10-15(12)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3.
What are the key properties of 2-(2-chloropropan-2-yl)-1-phenylphospholane?
2-(2-chloropropan-2-yl)-1-phenylphospholane has a molecular weight of 240.71 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropropan-2-yl)-1-phenylphospholane is sourced from PubChem (CID 91482141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).