2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol

C18H22FOP — CID 70807474

IUPAC2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol
SMILESCCC(CC)(Pc1ccccc1F)c1cccc(C)c1O
InChIInChI=1S/C18H22FOP/c1-4-18(5-2,14-10-8-9-13(3)17(14)20)21-16-12-7-6-11-15(16)19/h6-12,20-21H,4-5H2,1-3H3
InChIKeyINZMYFYFMSTXKW-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.86
Rot. Bonds5

About 2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol

2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol (PubChem CID 70807474) has the molecular formula C18H22FOP and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol
PubChem CID70807474
Molecular FormulaC18H22FOP
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol
SMILESCCC(CC)(Pc1ccccc1F)c1cccc(C)c1O
InChIInChI=1S/C18H22FOP/c1-4-18(5-2,14-10-8-9-13(3)17(14)20)21-16-12-7-6-11-15(16)19/h6-12,20-21H,4-5H2,1-3H3
InChIKeyINZMYFYFMSTXKW-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol 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 2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol?
The IUPAC name of 2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol (CID 70807474) is 2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol.
What is the SMILES notation for 2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol?
The canonical SMILES for 2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol is CCC(CC)(Pc1ccccc1F)c1cccc(C)c1O.
What is the InChIKey of 2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol?
The InChIKey is INZMYFYFMSTXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FOP/c1-4-18(5-2,14-10-8-9-13(3)17(14)20)21-16-12-7-6-11-15(16)19/h6-12,20-21H,4-5H2,1-3H3.
What are the key properties of 2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol?
2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol has a molecular weight of 304.35 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol is sourced from PubChem (CID 70807474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).