2,4-dibenzyl-6-[3-(2-fluorophenyl)phosphanylhexan-3-yl]phenol

C32H34FOP — CID 71040025

IUPAC2,4-dibenzyl-6-[3-(2-fluorophenyl)phosphanylhexan-3-yl]phenol
SMILESCCCC(CC)(Pc1ccccc1F)c1cc(Cc2ccccc2)cc(Cc2ccccc2)c1O
InChIInChI=1S/C32H34FOP/c1-3-19-32(4-2,35-30-18-12-11-17-29(30)33)28-23-26(20-24-13-7-5-8-14-24)22-27(31(28)34)21-25-15-9-6-10-16-25/h5-18,22-23,34-35H,3-4,19-21H2,1-2H3
InChIKeyKLQUUGDRNVPLNI-UHFFFAOYSA-N
MW484.60 g/mol
LogP8.12
Rot. Bonds10

About 2,4-dibenzyl-6-[3-(2-fluorophenyl)phosphanylhexan-3-yl]phenol

2,4-dibenzyl-6-[3-(2-fluorophenyl)phosphanylhexan-3-yl]phenol (PubChem CID 71040025) has the molecular formula C32H34FOP and a molecular weight of 484.60 g/mol. Its IUPAC name is 2,4-dibenzyl-6-[3-(2-fluorophenyl)phosphanylhexan-3-yl]phenol.

Molecular Properties

Compound Name2,4-dibenzyl-6-[3-(2-fluorophenyl)phosphanylhexan-3-yl]phenol
PubChem CID71040025
Molecular FormulaC32H34FOP
Molecular Weight484.60 g/mol
Exact Mass484.23
IUPAC Name2,4-dibenzyl-6-[3-(2-fluorophenyl)phosphanylhexan-3-yl]phenol
SMILESCCCC(CC)(Pc1ccccc1F)c1cc(Cc2ccccc2)cc(Cc2ccccc2)c1O
InChIInChI=1S/C32H34FOP/c1-3-19-32(4-2,35-30-18-12-11-17-29(30)33)28-23-26(20-24-13-7-5-8-14-24)22-27(31(28)34)21-25-15-9-6-10-16-25/h5-18,22-23,34-35H,3-4,19-21H2,1-2H3
InChIKeyKLQUUGDRNVPLNI-UHFFFAOYSA-N
XLogP8.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3,5-dibenzyl-2-hydroxyphenyl)hexan-3-ylphosphanyl]benzaldehyde
CID 88969276
3-[3,5-dibenzyl-2-(methoxymethoxy)phenyl]octan-3-yl-(2-fluorophenyl)phosphane
CID 89214214
2-(3,5-dibenzyl-2-phenylmethoxyphenyl)hexan-2-yl-(2-fluorophenyl)phosphane
CID 71040120
1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone
CID 70807483
2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol
CID 70807474
1-[2-[3-(3,5-dibenzyl-2-phenylmethoxyphenyl)heptan-3-ylphosphanyl]phenyl]ethanone
CID 71191510
2-[3-(3,5-dibenzyl-2-methoxyphenyl)octan-3-ylphosphanyl]-5-fluorobenzaldehyde
CID 89356639
2-[3-(3,5-dibenzyl-2-phenylmethoxyphenyl)octan-3-ylphosphanyl]benzaldehyde
CID 89356457
2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol
CID 71191937
2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane
CID 71040119
2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88987570
3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]heptan-3-yl-(2-fluorophenyl)phosphane
CID 89214520

Frequently Asked Questions

What is the IUPAC name of 2,4-dibenzyl-6-[3-(2-fluorophenyl)phosphanylhexan-3-yl]phenol?
The IUPAC name of 2,4-dibenzyl-6-[3-(2-fluorophenyl)phosphanylhexan-3-yl]phenol (CID 71040025) is 2,4-dibenzyl-6-[3-(2-fluorophenyl)phosphanylhexan-3-yl]phenol.
What is the SMILES notation for 2,4-dibenzyl-6-[3-(2-fluorophenyl)phosphanylhexan-3-yl]phenol?
The canonical SMILES for 2,4-dibenzyl-6-[3-(2-fluorophenyl)phosphanylhexan-3-yl]phenol is CCCC(CC)(Pc1ccccc1F)c1cc(Cc2ccccc2)cc(Cc2ccccc2)c1O.
What is the InChIKey of 2,4-dibenzyl-6-[3-(2-fluorophenyl)phosphanylhexan-3-yl]phenol?
The InChIKey is KLQUUGDRNVPLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FOP/c1-3-19-32(4-2,35-30-18-12-11-17-29(30)33)28-23-26(20-24-13-7-5-8-14-24)22-27(31(28)34)21-25-15-9-6-10-16-25/h5-18,22-23,34-35H,3-4,19-21H2,1-2H3.
What are the key properties of 2,4-dibenzyl-6-[3-(2-fluorophenyl)phosphanylhexan-3-yl]phenol?
2,4-dibenzyl-6-[3-(2-fluorophenyl)phosphanylhexan-3-yl]phenol has a molecular weight of 484.60 g/mol, XLogP of 8.12, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibenzyl-6-[3-(2-fluorophenyl)phosphanylhexan-3-yl]phenol is sourced from PubChem (CID 71040025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).