2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol

C9H6F2O2 — CID 169484963

IUPAC2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol
SMILESOCC#Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C9H6F2O2/c10-7-4-6(2-1-3-12)5-8(11)9(7)13/h4-5,12-13H,3H2
InChIKeyYEODLOHMBBJAJR-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.01
Rot. Bonds

About 2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol

2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol (PubChem CID 169484963) has the molecular formula C9H6F2O2 and a molecular weight of 184.14 g/mol. Its IUPAC name is 2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol.

Molecular Properties

Compound Name2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol
PubChem CID169484963
Molecular FormulaC9H6F2O2
Molecular Weight184.14 g/mol
Exact Mass184.03
IUPAC Name2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol
SMILESOCC#Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C9H6F2O2/c10-7-4-6(2-1-3-12)5-8(11)9(7)13/h4-5,12-13H,3H2
InChIKeyYEODLOHMBBJAJR-UHFFFAOYSA-N
XLogP1.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol
CID 169485026
4,5-difluoro-2-(3-hydroxyprop-1-ynyl)phenol
CID 169484957
3,5-difluoro-4-(3-hydroxyprop-1-ynyl)phenol
CID 163323399
3-(4-fluorophenyl)prop-2-yn-1-ol
CID 2782698
3-(3-fluoro-4-nitrophenyl)prop-2-yn-1-ol
CID 169485314
3-[3-fluoro-4-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 112663926
1,10-difluoro-3-hydroxy-8-(3-hydroxyprop-1-ynyl)benzo[c]chromen-6-one
CID 164598502
3-fluoro-5-(3-hydroxyprop-1-ynyl)benzaldehyde
CID 169484936
ethane;3-(4-fluorophenyl)prop-2-yn-1-ol
CID 163382607
4-(3-hydroxyprop-1-ynyl)benzene-1,2-diol
CID 169484709
7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol
CID 169485557
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide
CID 60813247

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol?
The IUPAC name of 2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol (CID 169484963) is 2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol.
What is the SMILES notation for 2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol?
The canonical SMILES for 2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol is OCC#Cc1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol?
The InChIKey is YEODLOHMBBJAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2O2/c10-7-4-6(2-1-3-12)5-8(11)9(7)13/h4-5,12-13H,3H2.
What are the key properties of 2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol?
2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol has a molecular weight of 184.14 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol is sourced from PubChem (CID 169484963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).