1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol

C28H35O3P — CID 71039825

IUPAC1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol
SMILESCCC(CC)(Pc1ccc(C)cc1C(C)O)c1cc(OC)ccc1OCc1ccccc1
InChIInChI=1S/C28H35O3P/c1-6-28(7-2,32-27-16-13-20(3)17-24(27)21(4)29)25-18-23(30-5)14-15-26(25)31-19-22-11-9-8-10-12-22/h8-18,21,29,32H,6-7,19H2,1-5H3
InChIKeyLIQPQXAEKKKFBL-UHFFFAOYSA-N
MW450.56 g/mol
LogP6.66
Rot. Bonds10

About 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol

1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol (PubChem CID 71039825) has the molecular formula C28H35O3P and a molecular weight of 450.56 g/mol. Its IUPAC name is 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol
PubChem CID71039825
Molecular FormulaC28H35O3P
Molecular Weight450.56 g/mol
Exact Mass450.23
IUPAC Name1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol
SMILESCCC(CC)(Pc1ccc(C)cc1C(C)O)c1cc(OC)ccc1OCc1ccccc1
InChIInChI=1S/C28H35O3P/c1-6-28(7-2,32-27-16-13-20(3)17-24(27)21(4)29)25-18-23(30-5)14-15-26(25)31-19-22-11-9-8-10-12-22/h8-18,21,29,32H,6-7,19H2,1-5H3
InChIKeyLIQPQXAEKKKFBL-UHFFFAOYSA-N
XLogP6.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.56
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol 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 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol?
The IUPAC name of 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol (CID 71039825) is 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol.
What is the SMILES notation for 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol?
The canonical SMILES for 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol is CCC(CC)(Pc1ccc(C)cc1C(C)O)c1cc(OC)ccc1OCc1ccccc1.
What is the InChIKey of 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol?
The InChIKey is LIQPQXAEKKKFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35O3P/c1-6-28(7-2,32-27-16-13-20(3)17-24(27)21(4)29)25-18-23(30-5)14-15-26(25)31-19-22-11-9-8-10-12-22/h8-18,21,29,32H,6-7,19H2,1-5H3.
What are the key properties of 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol?
1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol has a molecular weight of 450.56 g/mol, XLogP of 6.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol is sourced from PubChem (CID 71039825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).