2,3-difluoro-6-(3-hydroxypropyl)phenol

C9H10F2O2 — CID 117280989

IUPAC2,3-difluoro-6-(3-hydroxypropyl)phenol
SMILESOCCCc1ccc(F)c(F)c1O
InChIInChI=1S/C9H10F2O2/c10-7-4-3-6(2-1-5-12)9(13)8(7)11/h3-4,12-13H,1-2,5H2
InChIKeyBWHQAPIHNRCGFY-UHFFFAOYSA-N
MW188.17 g/mol
LogP1.60
Rot. Bonds3

About 2,3-difluoro-6-(3-hydroxypropyl)phenol

2,3-difluoro-6-(3-hydroxypropyl)phenol (PubChem CID 117280989) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 2,3-difluoro-6-(3-hydroxypropyl)phenol.

Molecular Properties

Compound Name2,3-difluoro-6-(3-hydroxypropyl)phenol
PubChem CID117280989
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name2,3-difluoro-6-(3-hydroxypropyl)phenol
SMILESOCCCc1ccc(F)c(F)c1O
InChIInChI=1S/C9H10F2O2/c10-7-4-3-6(2-1-5-12)9(13)8(7)11/h3-4,12-13H,1-2,5H2
InChIKeyBWHQAPIHNRCGFY-UHFFFAOYSA-N
XLogP1.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol
CID 117289242
3-(2,4-difluoro-3-methylphenyl)propan-1-ol
CID 66733705
2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol
CID 117373166
3-(2,3-difluorophenyl)propan-1-ol
CID 53434260
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
2-fluoro-4-(2-hydroxyethyl)benzene-1,3-diol
CID 117276910
2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride
CID 84805405
3-(3-aminopropyl)-6-fluorobenzene-1,2-diol
CID 117280042
3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol
CID 117279140
2-fluoro-6-(3-hydroxypropyl)-4-methylphenol
CID 117279810
6-(2,2-dimethylpropyl)-2,3-difluorophenol
CID 58149383
(3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride
CID 84801727

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-(3-hydroxypropyl)phenol?
The IUPAC name of 2,3-difluoro-6-(3-hydroxypropyl)phenol (CID 117280989) is 2,3-difluoro-6-(3-hydroxypropyl)phenol.
What is the SMILES notation for 2,3-difluoro-6-(3-hydroxypropyl)phenol?
The canonical SMILES for 2,3-difluoro-6-(3-hydroxypropyl)phenol is OCCCc1ccc(F)c(F)c1O.
What is the InChIKey of 2,3-difluoro-6-(3-hydroxypropyl)phenol?
The InChIKey is BWHQAPIHNRCGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c10-7-4-3-6(2-1-5-12)9(13)8(7)11/h3-4,12-13H,1-2,5H2.
What are the key properties of 2,3-difluoro-6-(3-hydroxypropyl)phenol?
2,3-difluoro-6-(3-hydroxypropyl)phenol has a molecular weight of 188.17 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-(3-hydroxypropyl)phenol is sourced from PubChem (CID 117280989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).