(4-methylphenyl)-octylphosphane

C15H25P — CID 21096786

IUPAC(4-methylphenyl)-octylphosphane
SMILESCCCCCCCCPc1ccc(C)cc1
InChIInChI=1S/C15H25P/c1-3-4-5-6-7-8-13-16-15-11-9-14(2)10-12-15/h9-12,16H,3-8,13H2,1-2H3
InChIKeyAOVGRCGPVGRXEB-UHFFFAOYSA-N
MW236.34 g/mol
LogP4.66
Rot. Bonds8

About (4-methylphenyl)-octylphosphane

(4-methylphenyl)-octylphosphane (PubChem CID 21096786) has the molecular formula C15H25P and a molecular weight of 236.34 g/mol. Its IUPAC name is (4-methylphenyl)-octylphosphane.

Molecular Properties

Compound Name(4-methylphenyl)-octylphosphane
PubChem CID21096786
Molecular FormulaC15H25P
Molecular Weight236.34 g/mol
Exact Mass236.17
IUPAC Name(4-methylphenyl)-octylphosphane
SMILESCCCCCCCCPc1ccc(C)cc1
InChIInChI=1S/C15H25P/c1-3-4-5-6-7-8-13-16-15-11-9-14(2)10-12-15/h9-12,16H,3-8,13H2,1-2H3
InChIKeyAOVGRCGPVGRXEB-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 54.66
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'}

Analyze (4-methylphenyl)-octylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexadecyl(phenyl)phosphane
CID 23361411
nonyl(phenyl)phosphane
CID 69424973
decyl-(4-methylphenyl)phosphanylphosphane
CID 87823208
hexyl(phenyl)phosphane;dihydrochloride
CID 175399433
decyl-(2,4,6-trimethylphenyl)phosphane
CID 69424969
formaldehyde;hexane;1,4-xylene
CID 143308406
benzene;heptane;hexane;toluene
CID 160959480
bis(heptane);toluene
CID 157306102
decane;1-methyl-4-(4-methylphenoxy)benzene;octane
CID 90840251
1-methyl-4-octylbenzene
CID 11052746
hexyl-(2,3,4-trimethylphenyl)phosphane
CID 90109528
(4-butylphenyl)-propylphosphane
CID 174916521

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-octylphosphane?
The IUPAC name of (4-methylphenyl)-octylphosphane (CID 21096786) is (4-methylphenyl)-octylphosphane.
What is the SMILES notation for (4-methylphenyl)-octylphosphane?
The canonical SMILES for (4-methylphenyl)-octylphosphane is CCCCCCCCPc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl)-octylphosphane?
The InChIKey is AOVGRCGPVGRXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25P/c1-3-4-5-6-7-8-13-16-15-11-9-14(2)10-12-15/h9-12,16H,3-8,13H2,1-2H3.
What are the key properties of (4-methylphenyl)-octylphosphane?
(4-methylphenyl)-octylphosphane has a molecular weight of 236.34 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-octylphosphane is sourced from PubChem (CID 21096786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).