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

C17H18F3OP — CID 71039709

IUPAC2-[2-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylpropan-2-yl]phenol
SMILESCc1cccc(C(F)(F)F)c1PC(C)(C)c1ccccc1O
InChIInChI=1S/C17H18F3OP/c1-11-7-6-9-13(17(18,19)20)15(11)22-16(2,3)12-8-4-5-10-14(12)21/h4-10,21-22H,1-3H3
InChIKeyQXFLYCPALHESBJ-UHFFFAOYSA-N
MW326.30 g/mol
LogP4.96
Rot. Bonds3

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

2-[2-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylpropan-2-yl]phenol (PubChem CID 71039709) has the molecular formula C17H18F3OP and a molecular weight of 326.30 g/mol. Its IUPAC name is 2-[2-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylpropan-2-yl]phenol.

Molecular Properties

Compound Name2-[2-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylpropan-2-yl]phenol
PubChem CID71039709
Molecular FormulaC17H18F3OP
Molecular Weight326.30 g/mol
Exact Mass326.10
IUPAC Name2-[2-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylpropan-2-yl]phenol
SMILESCc1cccc(C(F)(F)F)c1PC(C)(C)c1ccccc1O
InChIInChI=1S/C17H18F3OP/c1-11-7-6-9-13(17(18,19)20)15(11)22-16(2,3)12-8-4-5-10-14(12)21/h4-10,21-22H,1-3H3
InChIKeyQXFLYCPALHESBJ-UHFFFAOYSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 54.96
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-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol
CID 71191689
ethane;2-(trifluoromethyl)phenol
CID 142291947
2-(trifluoromethyl)phenol
CID 162212145
2-methyl-6-(trifluoromethyl)phenol
CID 14672062
[2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone
CID 18514892
2-(1,1-difluoro-2,2-dimethylpropyl)phenol
CID 83855896
2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol
CID 71040212
ethane;3-methyl-2-(trifluoromethyl)phenol
CID 171645193
2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 58543603
3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 36591659
1-(1-fluoro-1-iodoethyl)-2-methylbenzene
CID 170359847
1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene
CID 54377530

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylpropan-2-yl]phenol?
The IUPAC name of 2-[2-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylpropan-2-yl]phenol (CID 71039709) is 2-[2-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylpropan-2-yl]phenol.
What is the SMILES notation for 2-[2-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylpropan-2-yl]phenol?
The canonical SMILES for 2-[2-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylpropan-2-yl]phenol is Cc1cccc(C(F)(F)F)c1PC(C)(C)c1ccccc1O.
What is the InChIKey of 2-[2-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylpropan-2-yl]phenol?
The InChIKey is QXFLYCPALHESBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3OP/c1-11-7-6-9-13(17(18,19)20)15(11)22-16(2,3)12-8-4-5-10-14(12)21/h4-10,21-22H,1-3H3.
What are the key properties of 2-[2-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylpropan-2-yl]phenol?
2-[2-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylpropan-2-yl]phenol has a molecular weight of 326.30 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylpropan-2-yl]phenol is sourced from PubChem (CID 71039709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).