2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol

C20H24F3OP — CID 71191689

IUPAC2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol
SMILESCCCC(CC)(Pc1c(C)cccc1C(F)(F)F)c1ccccc1O
InChIInChI=1S/C20H24F3OP/c1-4-13-19(5-2,15-10-6-7-12-17(15)24)25-18-14(3)9-8-11-16(18)20(21,22)23/h6-12,24-25H,4-5,13H2,1-3H3
InChIKeyATTICNALZLFLCO-UHFFFAOYSA-N
MW368.38 g/mol
LogP6.13
Rot. Bonds6

About 2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol

2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol (PubChem CID 71191689) has the molecular formula C20H24F3OP and a molecular weight of 368.38 g/mol. Its IUPAC name is 2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol.

Molecular Properties

Compound Name2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol
PubChem CID71191689
Molecular FormulaC20H24F3OP
Molecular Weight368.38 g/mol
Exact Mass368.15
IUPAC Name2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol
SMILESCCCC(CC)(Pc1c(C)cccc1C(F)(F)F)c1ccccc1O
InChIInChI=1S/C20H24F3OP/c1-4-13-19(5-2,15-10-6-7-12-17(15)24)25-18-14(3)9-8-11-16(18)20(21,22)23/h6-12,24-25H,4-5,13H2,1-3H3
InChIKeyATTICNALZLFLCO-UHFFFAOYSA-N
XLogP6.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.38
LogP ≤ 56.13
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-[2-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylpropan-2-yl]phenol
CID 71039709
2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol
CID 71040212
2-[3-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylhexan-3-yl]-4-methylphenol
CID 71191702
4-methyl-2-[3-[2-methyl-6-(methylphosphanylmethyl)phenyl]phosphanylhexan-3-yl]phenol
CID 71191488
4-tert-butyl-2-[3-[2-(diphenylphosphanylmethyl)-6-methylphenyl]phosphanylhexan-3-yl]-6-methylphenol
CID 71191439
ethane;2-(trifluoromethyl)phenol
CID 142291947
2-(trifluoromethyl)phenol
CID 162212145
2-methyl-6-(trifluoromethyl)phenol
CID 14672062
2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol
CID 70807474
2-methoxy-6-[3-[2-methyl-6-[(N-phenylanilino)methyl]phenyl]phosphanylpentan-3-yl]phenol
CID 70807505
2-[3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-3-ylphosphanyl]-3-methyl-N,N-di(propan-2-yl)aniline
CID 89356666
1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine
CID 89356303

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol?
The IUPAC name of 2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol (CID 71191689) is 2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol.
What is the SMILES notation for 2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol?
The canonical SMILES for 2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol is CCCC(CC)(Pc1c(C)cccc1C(F)(F)F)c1ccccc1O.
What is the InChIKey of 2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol?
The InChIKey is ATTICNALZLFLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3OP/c1-4-13-19(5-2,15-10-6-7-12-17(15)24)25-18-14(3)9-8-11-16(18)20(21,22)23/h6-12,24-25H,4-5,13H2,1-3H3.
What are the key properties of 2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol?
2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol has a molecular weight of 368.38 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol is sourced from PubChem (CID 71191689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).