butyl(2-phenylethyl)phosphane

C12H19P — CID 69425229

IUPACbutyl(2-phenylethyl)phosphane
SMILESCCCCPCCc1ccccc1
InChIInChI=1S/C12H19P/c1-2-3-10-13-11-9-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKeyRCRVGALVWPJSNT-UHFFFAOYSA-N
MW194.26 g/mol
LogP3.71
Rot. Bonds6

About butyl(2-phenylethyl)phosphane

butyl(2-phenylethyl)phosphane (PubChem CID 69425229) has the molecular formula C12H19P and a molecular weight of 194.26 g/mol. Its IUPAC name is butyl(2-phenylethyl)phosphane.

Molecular Properties

Compound Namebutyl(2-phenylethyl)phosphane
PubChem CID69425229
Molecular FormulaC12H19P
Molecular Weight194.26 g/mol
Exact Mass194.12
IUPAC Namebutyl(2-phenylethyl)phosphane
SMILESCCCCPCCc1ccccc1
InChIInChI=1S/C12H19P/c1-2-3-10-13-11-9-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKeyRCRVGALVWPJSNT-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

decyl(2-phenylethyl)phosphane
CID 69425804
benzyl(pentadecyl)phosphane
CID 174798233
octylbenzene
CID 16607
butylbenzene;propylbenzene
CID 142022125
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
benzyl(pentadecyl)phosphane;hydrobromide
CID 174798232
dibutylphosphane;nickel(2+);bis(triphenylphosphane);dibromide
CID 175390731
hexylbenzene;hydrogen peroxide
CID 90001206
butylbenzene;hydroxylamine
CID 175142403

Frequently Asked Questions

What is the IUPAC name of butyl(2-phenylethyl)phosphane?
The IUPAC name of butyl(2-phenylethyl)phosphane (CID 69425229) is butyl(2-phenylethyl)phosphane.
What is the SMILES notation for butyl(2-phenylethyl)phosphane?
The canonical SMILES for butyl(2-phenylethyl)phosphane is CCCCPCCc1ccccc1.
What is the InChIKey of butyl(2-phenylethyl)phosphane?
The InChIKey is RCRVGALVWPJSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19P/c1-2-3-10-13-11-9-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3.
What are the key properties of butyl(2-phenylethyl)phosphane?
butyl(2-phenylethyl)phosphane has a molecular weight of 194.26 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(2-phenylethyl)phosphane is sourced from PubChem (CID 69425229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).