diethyl-(4-methylphenyl)phosphane

C11H17P — CID 13087553

IUPACdiethyl-(4-methylphenyl)phosphane
SMILESCCP(CC)c1ccc(C)cc1
InChIInChI=1S/C11H17P/c1-4-12(5-2)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
InChIKeyOMKJOYYPENYHQC-UHFFFAOYSA-N
MW180.23 g/mol
LogP3.14
Rot. Bonds3

About diethyl-(4-methylphenyl)phosphane

diethyl-(4-methylphenyl)phosphane (PubChem CID 13087553) has the molecular formula C11H17P and a molecular weight of 180.23 g/mol. Its IUPAC name is diethyl-(4-methylphenyl)phosphane.

Molecular Properties

Compound Namediethyl-(4-methylphenyl)phosphane
PubChem CID13087553
Molecular FormulaC11H17P
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Namediethyl-(4-methylphenyl)phosphane
SMILESCCP(CC)c1ccc(C)cc1
InChIInChI=1S/C11H17P/c1-4-12(5-2)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
InChIKeyOMKJOYYPENYHQC-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-(4-methylphenyl)phosphane?
The IUPAC name of diethyl-(4-methylphenyl)phosphane (CID 13087553) is diethyl-(4-methylphenyl)phosphane.
What is the SMILES notation for diethyl-(4-methylphenyl)phosphane?
The canonical SMILES for diethyl-(4-methylphenyl)phosphane is CCP(CC)c1ccc(C)cc1.
What is the InChIKey of diethyl-(4-methylphenyl)phosphane?
The InChIKey is OMKJOYYPENYHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17P/c1-4-12(5-2)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3.
What are the key properties of diethyl-(4-methylphenyl)phosphane?
diethyl-(4-methylphenyl)phosphane has a molecular weight of 180.23 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(4-methylphenyl)phosphane is sourced from PubChem (CID 13087553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).