3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol

C9H10F2O2 — CID 117281030

IUPAC3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol
SMILESCC(CO)c1c(F)ccc(F)c1O
InChIInChI=1S/C9H10F2O2/c1-5(4-12)8-6(10)2-3-7(11)9(8)13/h2-3,5,12-13H,4H2,1H3
InChIKeyOHFMGXRJNMRNNU-UHFFFAOYSA-N
MW188.17 g/mol
LogP1.77
Rot. Bonds2

About 3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol

3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol (PubChem CID 117281030) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol
PubChem CID117281030
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol
SMILESCC(CO)c1c(F)ccc(F)c1O
InChIInChI=1S/C9H10F2O2/c1-5(4-12)8-6(10)2-3-7(11)9(8)13/h2-3,5,12-13H,4H2,1H3
InChIKeyOHFMGXRJNMRNNU-UHFFFAOYSA-N
XLogP1.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-3,6-difluorophenyl)propan-1-ol
CID 117295344
5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)benzene-1,2-diol
CID 117314997
2-[(1S)-1-aminopropyl]-3,6-difluorophenol
CID 131195771
2-(1-amino-3-hydroxypropyl)-3,6-difluorophenol
CID 131010821
2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol
CID 130885199
2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol
CID 117409448
2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol
CID 117289376
3,6-difluoro-2-[(1R)-1-piperazin-1-ylethyl]phenol
CID 171300074
3-(3-chloro-6-fluoro-2-hydroxyphenyl)butanal
CID 117308639
6-chloro-1-(1-hydroxypropan-2-yl)naphthalen-2-ol
CID 117345844
3,6-difluoro-2-[(1R)-1-piperazin-1-ylpropyl]phenol
CID 171300076
2,6-difluoro-3-(4-methylpentan-2-yl)phenol
CID 139501163

Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol?
The IUPAC name of 3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol (CID 117281030) is 3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol?
The canonical SMILES for 3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol is CC(CO)c1c(F)ccc(F)c1O.
What is the InChIKey of 3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol?
The InChIKey is OHFMGXRJNMRNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-5(4-12)8-6(10)2-3-7(11)9(8)13/h2-3,5,12-13H,4H2,1H3.
What are the key properties of 3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol?
3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol has a molecular weight of 188.17 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol is sourced from PubChem (CID 117281030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).