1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone

C32H32FO2P — CID 70807483

IUPAC1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone
SMILESCCC(C)(Pc1ccc(F)cc1C(C)=O)c1cc(Cc2ccccc2)cc(Cc2ccccc2)c1O
InChIInChI=1S/C32H32FO2P/c1-4-32(3,36-30-16-15-27(33)21-28(30)22(2)34)29-20-25(17-23-11-7-5-8-12-23)19-26(31(29)35)18-24-13-9-6-10-14-24/h5-16,19-21,35-36H,4,17-18H2,1-3H3
InChIKeyOZARNTJXWFVHPR-UHFFFAOYSA-N
MW498.58 g/mol
LogP7.54
Rot. Bonds9

About 1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone

1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone (PubChem CID 70807483) has the molecular formula C32H32FO2P and a molecular weight of 498.58 g/mol. Its IUPAC name is 1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone
PubChem CID70807483
Molecular FormulaC32H32FO2P
Molecular Weight498.58 g/mol
Exact Mass498.21
IUPAC Name1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone
SMILESCCC(C)(Pc1ccc(F)cc1C(C)=O)c1cc(Cc2ccccc2)cc(Cc2ccccc2)c1O
InChIInChI=1S/C32H32FO2P/c1-4-32(3,36-30-16-15-27(33)21-28(30)22(2)34)29-20-25(17-23-11-7-5-8-12-23)19-26(31(29)35)18-24-13-9-6-10-14-24/h5-16,19-21,35-36H,4,17-18H2,1-3H3
InChIKeyOZARNTJXWFVHPR-UHFFFAOYSA-N
XLogP7.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2,4-dibenzyl-6-[3-(2-fluorophenyl)phosphanylhexan-3-yl]phenol
CID 71040025
2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88987570
1-[2-[3-(3,5-dibenzyl-2-phenylmethoxyphenyl)heptan-3-ylphosphanyl]phenyl]ethanone
CID 71191510
2-[3-(3,5-dibenzyl-2-hydroxyphenyl)hexan-3-ylphosphanyl]benzaldehyde
CID 88969276
2-[3-(3,5-dibenzyl-2-methoxyphenyl)octan-3-ylphosphanyl]-5-fluorobenzaldehyde
CID 89356639
1-[2-[2-[5-benzyl-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-5-methylphenyl]ethanone
CID 89214655
1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone
CID 71040189
1-(2,4-dibenzylphenyl)ethanone
CID 70182248
2-(3,5-dibenzyl-2-phenylmethoxyphenyl)hexan-2-yl-(2-fluorophenyl)phosphane
CID 71040120
2-benzyl-4-fluorobenzoic acid
CID 68960960
2-(3,5-dibenzyl-2-hydroxyphenyl)acetamide
CID 163237018
2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol
CID 70807553

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone (CID 70807483) is 1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone is CCC(C)(Pc1ccc(F)cc1C(C)=O)c1cc(Cc2ccccc2)cc(Cc2ccccc2)c1O.
What is the InChIKey of 1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone?
The InChIKey is OZARNTJXWFVHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FO2P/c1-4-32(3,36-30-16-15-27(33)21-28(30)22(2)34)29-20-25(17-23-11-7-5-8-12-23)19-26(31(29)35)18-24-13-9-6-10-14-24/h5-16,19-21,35-36H,4,17-18H2,1-3H3.
What are the key properties of 1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone?
1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone has a molecular weight of 498.58 g/mol, XLogP of 7.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone is sourced from PubChem (CID 70807483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).