chloro-phenyl-propan-2-ylphosphane

C9H12ClP — CID 10867074

IUPACchloro-phenyl-propan-2-ylphosphane
SMILESCC(C)P(Cl)c1ccccc1
InChIInChI=1S/C9H12ClP/c1-8(2)11(10)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyVMGVWAVBFAWHLG-UHFFFAOYSA-N
MW186.62 g/mol
LogP3.36
Rot. Bonds2

About chloro-phenyl-propan-2-ylphosphane

chloro-phenyl-propan-2-ylphosphane (PubChem CID 10867074) has the molecular formula C9H12ClP and a molecular weight of 186.62 g/mol. Its IUPAC name is chloro-phenyl-propan-2-ylphosphane.

Molecular Properties

Compound Namechloro-phenyl-propan-2-ylphosphane
PubChem CID10867074
Molecular FormulaC9H12ClP
Molecular Weight186.62 g/mol
Exact Mass186.04
IUPAC Namechloro-phenyl-propan-2-ylphosphane
SMILESCC(C)P(Cl)c1ccccc1
InChIInChI=1S/C9H12ClP/c1-8(2)11(10)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyVMGVWAVBFAWHLG-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 53.36
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

[[chloro(phenyl)phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium
CID 122366708
trimethyl-[phenyl-[phenyl(trimethylphosphaniumyl)phosphanyl]phosphanyl]phosphanium
CID 139118371
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946
dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 88642037
bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268
2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine
CID 76790534
N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine
CID 87094669
ethyl-phenyl-propan-2-ylsulfanylphosphane
CID 13169923
[(2R)-1-diphenylphosphanylpropan-2-yl]-diphenylphosphane
CID 2724539
cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron
CID 174302734
N-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 122548842

Frequently Asked Questions

What is the IUPAC name of chloro-phenyl-propan-2-ylphosphane?
The IUPAC name of chloro-phenyl-propan-2-ylphosphane (CID 10867074) is chloro-phenyl-propan-2-ylphosphane.
What is the SMILES notation for chloro-phenyl-propan-2-ylphosphane?
The canonical SMILES for chloro-phenyl-propan-2-ylphosphane is CC(C)P(Cl)c1ccccc1.
What is the InChIKey of chloro-phenyl-propan-2-ylphosphane?
The InChIKey is VMGVWAVBFAWHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClP/c1-8(2)11(10)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of chloro-phenyl-propan-2-ylphosphane?
chloro-phenyl-propan-2-ylphosphane has a molecular weight of 186.62 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-phenyl-propan-2-ylphosphane is sourced from PubChem (CID 10867074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).