3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol

C16H16F2O — CID 114933094

IUPAC3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol
SMILESCC(Cc1c(F)cccc1F)C(O)c1ccccc1
InChIInChI=1S/C16H16F2O/c1-11(16(19)12-6-3-2-4-7-12)10-13-14(17)8-5-9-15(13)18/h2-9,11,16,19H,10H2,1H3
InChIKeyYKEVWINTNIFEMZ-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.88
Rot. Bonds4

About 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol

3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol (PubChem CID 114933094) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol
PubChem CID114933094
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol
SMILESCC(Cc1c(F)cccc1F)C(O)c1ccccc1
InChIInChI=1S/C16H16F2O/c1-11(16(19)12-6-3-2-4-7-12)10-13-14(17)8-5-9-15(13)18/h2-9,11,16,19H,10H2,1H3
InChIKeyYKEVWINTNIFEMZ-UHFFFAOYSA-N
XLogP3.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 114930765
3-(2,6-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 114931735
3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol
CID 104846115
1-(2,6-difluorophenyl)butane-2,3-diol
CID 103452859
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene
CID 113460186
2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene
CID 64671779
3-(2-bromo-5-fluorophenyl)-2-methyl-1-phenylpropan-1-ol
CID 104846213
2-methyl-1-phenylhexane-1,5-diol
CID 104846103
2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol
CID 70499675
2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
CID 104846308
2-(3-chloro-2-methylpropyl)-1,3-difluorobenzene
CID 18989689
3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol
CID 103459440

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol (CID 114933094) is 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol is CC(Cc1c(F)cccc1F)C(O)c1ccccc1.
What is the InChIKey of 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol?
The InChIKey is YKEVWINTNIFEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-11(16(19)12-6-3-2-4-7-12)10-13-14(17)8-5-9-15(13)18/h2-9,11,16,19H,10H2,1H3.
What are the key properties of 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol?
3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol has a molecular weight of 262.30 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 114933094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).