(4-butylphenyl)-propylphosphane

C13H21P — CID 174916521

IUPAC(4-butylphenyl)-propylphosphane
SMILESCCCCc1ccc(PCCC)cc1
InChIInChI=1S/C13H21P/c1-3-5-6-12-7-9-13(10-8-12)14-11-4-2/h7-10,14H,3-6,11H2,1-2H3
InChIKeyUICCJLHUQPOYOU-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.74
Rot. Bonds6

About (4-butylphenyl)-propylphosphane

(4-butylphenyl)-propylphosphane (PubChem CID 174916521) has the molecular formula C13H21P and a molecular weight of 208.28 g/mol. Its IUPAC name is (4-butylphenyl)-propylphosphane.

Molecular Properties

Compound Name(4-butylphenyl)-propylphosphane
PubChem CID174916521
Molecular FormulaC13H21P
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name(4-butylphenyl)-propylphosphane
SMILESCCCCc1ccc(PCCC)cc1
InChIInChI=1S/C13H21P/c1-3-5-6-12-7-9-13(10-8-12)14-11-4-2/h7-10,14H,3-6,11H2,1-2H3
InChIKeyUICCJLHUQPOYOU-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.74
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

1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302
4-butylphenol;tungsten
CID 174758928
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
lithium;4-butylphenol;hydride
CID 174758234
4-butylphenol;phenol;4-propylphenol
CID 157420199
1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
CID 21471119
CID 57493424
CID 57493424
1-butyl-4-methylbenzene;phenol
CID 174834955
(4-methylphenyl)-octylphosphane
CID 21096786
N,N'-bis(4-butylphenyl)methanediimine
CID 87580570

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-propylphosphane?
The IUPAC name of (4-butylphenyl)-propylphosphane (CID 174916521) is (4-butylphenyl)-propylphosphane.
What is the SMILES notation for (4-butylphenyl)-propylphosphane?
The canonical SMILES for (4-butylphenyl)-propylphosphane is CCCCc1ccc(PCCC)cc1.
What is the InChIKey of (4-butylphenyl)-propylphosphane?
The InChIKey is UICCJLHUQPOYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21P/c1-3-5-6-12-7-9-13(10-8-12)14-11-4-2/h7-10,14H,3-6,11H2,1-2H3.
What are the key properties of (4-butylphenyl)-propylphosphane?
(4-butylphenyl)-propylphosphane has a molecular weight of 208.28 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-propylphosphane is sourced from PubChem (CID 174916521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).