2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol

C8H9FO3 — CID 117276916

IUPAC2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol
SMILESCC(O)c1ccc(O)c(F)c1O
InChIInChI=1S/C8H9FO3/c1-4(10)5-2-3-6(11)7(9)8(5)12/h2-4,10-12H,1H3
InChIKeyLVEYZZNRXFDWOT-UHFFFAOYSA-N
MW172.15 g/mol
LogP1.29
Rot. Bonds1

About 2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol

2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol (PubChem CID 117276916) has the molecular formula C8H9FO3 and a molecular weight of 172.15 g/mol. Its IUPAC name is 2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol
PubChem CID117276916
Molecular FormulaC8H9FO3
Molecular Weight172.15 g/mol
Exact Mass172.05
IUPAC Name2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol
SMILESCC(O)c1ccc(O)c(F)c1O
InChIInChI=1S/C8H9FO3/c1-4(10)5-2-3-6(11)7(9)8(5)12/h2-4,10-12H,1H3
InChIKeyLVEYZZNRXFDWOT-UHFFFAOYSA-N
XLogP1.29
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-(1-hydroxyethyl)-3-methylphenol
CID 117276805
4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol
CID 84776108
4-(1-aminopropyl)-2-fluorobenzene-1,3-diol
CID 130062351
3-fluoro-2,4-di(propan-2-yl)phenol
CID 174716434
4-fluoro-2-(1-hydroxyethyl)phenol
CID 53406163
2-fluoro-3-propan-2-ylphenol
CID 71302551
2-chloro-3-fluoro-4-propan-2-ylphenol
CID 137471064
4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol
CID 130690034
2,4-difluorobenzene-1,3-diol
CID 10844515
1-(2,4-difluoro-3-methylphenyl)ethanol
CID 84654323
1-(4-chloro-2,3-difluorophenyl)ethanol
CID 164892643
6-[(1S,2R)-1-amino-2-hydroxypropyl]-2,3-difluorophenol
CID 130747229

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol?
The IUPAC name of 2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol (CID 117276916) is 2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol.
What is the SMILES notation for 2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol?
The canonical SMILES for 2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol is CC(O)c1ccc(O)c(F)c1O.
What is the InChIKey of 2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol?
The InChIKey is LVEYZZNRXFDWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3/c1-4(10)5-2-3-6(11)7(9)8(5)12/h2-4,10-12H,1H3.
What are the key properties of 2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol?
2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol has a molecular weight of 172.15 g/mol, XLogP of 1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol is sourced from PubChem (CID 117276916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).