(2-fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-yl]phosphane

C25H28FO2P — CID 71191694

IUPAC(2-fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-yl]phosphane
SMILESCCCC(C)(Pc1ccccc1F)c1cc(OC)ccc1OCc1ccccc1
InChIInChI=1S/C25H28FO2P/c1-4-16-25(2,29-24-13-9-8-12-22(24)26)21-17-20(27-3)14-15-23(21)28-18-19-10-6-5-7-11-19/h5-15,17,29H,4,16,18H2,1-3H3
InChIKeyXYGCEEHDEBYGQX-UHFFFAOYSA-N
MW410.47 g/mol
LogP6.43
Rot. Bonds9

About (2-fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-yl]phosphane

(2-fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-yl]phosphane (PubChem CID 71191694) has the molecular formula C25H28FO2P and a molecular weight of 410.47 g/mol. Its IUPAC name is (2-fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-yl]phosphane.

Molecular Properties

Compound Name(2-fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-yl]phosphane
PubChem CID71191694
Molecular FormulaC25H28FO2P
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name(2-fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-yl]phosphane
SMILESCCCC(C)(Pc1ccccc1F)c1cc(OC)ccc1OCc1ccccc1
InChIInChI=1S/C25H28FO2P/c1-4-16-25(2,29-24-13-9-8-12-22(24)26)21-17-20(27-3)14-15-23(21)28-18-19-10-6-5-7-11-19/h5-15,17,29H,4,16,18H2,1-3H3
InChIKeyXYGCEEHDEBYGQX-UHFFFAOYSA-N
XLogP6.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-yl]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 (2-fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-yl]phosphane?
The IUPAC name of (2-fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-yl]phosphane (CID 71191694) is (2-fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-yl]phosphane.
What is the SMILES notation for (2-fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-yl]phosphane?
The canonical SMILES for (2-fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-yl]phosphane is CCCC(C)(Pc1ccccc1F)c1cc(OC)ccc1OCc1ccccc1.
What is the InChIKey of (2-fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-yl]phosphane?
The InChIKey is XYGCEEHDEBYGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FO2P/c1-4-16-25(2,29-24-13-9-8-12-22(24)26)21-17-20(27-3)14-15-23(21)28-18-19-10-6-5-7-11-19/h5-15,17,29H,4,16,18H2,1-3H3.
What are the key properties of (2-fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-yl]phosphane?
(2-fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-yl]phosphane has a molecular weight of 410.47 g/mol, XLogP of 6.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-yl]phosphane is sourced from PubChem (CID 71191694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).