(3-ethyl-5-methylphenyl)phosphane

C9H13P — CID 89379399

IUPAC(3-ethyl-5-methylphenyl)phosphane
SMILESCCc1cc(C)cc(P)c1
InChIInChI=1S/C9H13P/c1-3-8-4-7(2)5-9(10)6-8/h4-6H,3,10H2,1-2H3
InChIKeyQYEIRZBEEBTKBO-UHFFFAOYSA-N
MW152.18 g/mol
LogP2.06
Rot. Bonds1

About (3-ethyl-5-methylphenyl)phosphane

(3-ethyl-5-methylphenyl)phosphane (PubChem CID 89379399) has the molecular formula C9H13P and a molecular weight of 152.18 g/mol. Its IUPAC name is (3-ethyl-5-methylphenyl)phosphane.

Molecular Properties

Compound Name(3-ethyl-5-methylphenyl)phosphane
PubChem CID89379399
Molecular FormulaC9H13P
Molecular Weight152.18 g/mol
Exact Mass152.08
IUPAC Name(3-ethyl-5-methylphenyl)phosphane
SMILESCCc1cc(C)cc(P)c1
InChIInChI=1S/C9H13P/c1-3-8-4-7(2)5-9(10)6-8/h4-6H,3,10H2,1-2H3
InChIKeyQYEIRZBEEBTKBO-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3-ethyl-5-methylphenyl)phosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methylphenyl)phosphane?
The IUPAC name of (3-ethyl-5-methylphenyl)phosphane (CID 89379399) is (3-ethyl-5-methylphenyl)phosphane.
What is the SMILES notation for (3-ethyl-5-methylphenyl)phosphane?
The canonical SMILES for (3-ethyl-5-methylphenyl)phosphane is CCc1cc(C)cc(P)c1.
What is the InChIKey of (3-ethyl-5-methylphenyl)phosphane?
The InChIKey is QYEIRZBEEBTKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13P/c1-3-8-4-7(2)5-9(10)6-8/h4-6H,3,10H2,1-2H3.
What are the key properties of (3-ethyl-5-methylphenyl)phosphane?
(3-ethyl-5-methylphenyl)phosphane has a molecular weight of 152.18 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methylphenyl)phosphane is sourced from PubChem (CID 89379399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).