2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane

C30H30FOP — CID 71040119

IUPAC2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane
SMILESCCC(C)(Pc1ccccc1F)c1cccc(Cc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C30H30FOP/c1-3-30(2,33-28-20-11-10-19-27(28)31)26-18-12-17-25(21-23-13-6-4-7-14-23)29(26)32-22-24-15-8-5-9-16-24/h4-20,33H,3,21-22H2,1-2H3
InChIKeyGVXYZKOJLLXUFB-UHFFFAOYSA-N
MW456.54 g/mol
LogP7.62
Rot. Bonds9

About 2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane

2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane (PubChem CID 71040119) has the molecular formula C30H30FOP and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane.

Molecular Properties

Compound Name2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane
PubChem CID71040119
Molecular FormulaC30H30FOP
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane
SMILESCCC(C)(Pc1ccccc1F)c1cccc(Cc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C30H30FOP/c1-3-30(2,33-28-20-11-10-19-27(28)31)26-18-12-17-25(21-23-13-6-4-7-14-23)29(26)32-22-24-15-8-5-9-16-24/h4-20,33H,3,21-22H2,1-2H3
InChIKeyGVXYZKOJLLXUFB-UHFFFAOYSA-N
XLogP7.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dibenzyl-2-phenylmethoxyphenyl)hexan-2-yl-(2-fluorophenyl)phosphane
CID 71040120
2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88969071
2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88987570
1-[2-[2-[3-benzyl-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine
CID 89214594
dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane
CID 71039959
N-benzyl-N-[[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]-3-methylphenyl]methyl]-1-phenylmethanamine
CID 71040157
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610717
1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol
CID 70807417
2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane
CID 71039912
1-benzyl-3-phenyl-2-phenylmethoxybenzene
CID 58238649
3-[3,5-dibenzyl-2-(methoxymethoxy)phenyl]octan-3-yl-(2-fluorophenyl)phosphane
CID 89214214
[5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol
CID 71039834

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane?
The IUPAC name of 2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane (CID 71040119) is 2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane.
What is the SMILES notation for 2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane?
The canonical SMILES for 2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane is CCC(C)(Pc1ccccc1F)c1cccc(Cc2ccccc2)c1OCc1ccccc1.
What is the InChIKey of 2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane?
The InChIKey is GVXYZKOJLLXUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FOP/c1-3-30(2,33-28-20-11-10-19-27(28)31)26-18-12-17-25(21-23-13-6-4-7-14-23)29(26)32-22-24-15-8-5-9-16-24/h4-20,33H,3,21-22H2,1-2H3.
What are the key properties of 2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane?
2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane has a molecular weight of 456.54 g/mol, XLogP of 7.62, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane is sourced from PubChem (CID 71040119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).