diethyl(3-phenylpropoxy)phosphane

C13H21OP — CID 141159247

IUPACdiethyl(3-phenylpropoxy)phosphane
SMILESCCP(CC)OCCCc1ccccc1
InChIInChI=1S/C13H21OP/c1-3-15(4-2)14-12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3
InChIKeyVNGJJCQACKHZNN-UHFFFAOYSA-N
MW224.28 g/mol
LogP4.07
Rot. Bonds7

About diethyl(3-phenylpropoxy)phosphane

diethyl(3-phenylpropoxy)phosphane (PubChem CID 141159247) has the molecular formula C13H21OP and a molecular weight of 224.28 g/mol. Its IUPAC name is diethyl(3-phenylpropoxy)phosphane.

Molecular Properties

Compound Namediethyl(3-phenylpropoxy)phosphane
PubChem CID141159247
Molecular FormulaC13H21OP
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Namediethyl(3-phenylpropoxy)phosphane
SMILESCCP(CC)OCCCc1ccccc1
InChIInChI=1S/C13H21OP/c1-3-15(4-2)14-12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3
InChIKeyVNGJJCQACKHZNN-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N-ethyl-2-methyl-2-(3-phenylpropoxy)propan-1-amine
CID 55063095
3-decoxypropylbenzene
CID 150065328
benzylethoxysilane
CID 66773279
4-phenylbutylbenzene
CID 141301927
3-(chloroamino)oxypropylbenzene
CID 140980785
dimethyl(2-phenylethoxy)phosphane
CID 141159269
2-methyl-2-(3-phenylpropoxy)propan-1-amine
CID 62354830
4-[(2-methylpropan-2-yl)oxy]butylbenzene
CID 14937175
6-ethoxyhexylbenzene
CID 54300935
hafnium;4-phenylbutylbenzene
CID 175889972
1,4-bis(3-phenylpropyl)benzene
CID 59467322
methane;4-phenylbutylbenzene
CID 173386802

Frequently Asked Questions

What is the IUPAC name of diethyl(3-phenylpropoxy)phosphane?
The IUPAC name of diethyl(3-phenylpropoxy)phosphane (CID 141159247) is diethyl(3-phenylpropoxy)phosphane.
What is the SMILES notation for diethyl(3-phenylpropoxy)phosphane?
The canonical SMILES for diethyl(3-phenylpropoxy)phosphane is CCP(CC)OCCCc1ccccc1.
What is the InChIKey of diethyl(3-phenylpropoxy)phosphane?
The InChIKey is VNGJJCQACKHZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21OP/c1-3-15(4-2)14-12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3.
What are the key properties of diethyl(3-phenylpropoxy)phosphane?
diethyl(3-phenylpropoxy)phosphane has a molecular weight of 224.28 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(3-phenylpropoxy)phosphane is sourced from PubChem (CID 141159247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).