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

C8H9FO3 — CID 117276910

IUPAC2-fluoro-4-(2-hydroxyethyl)benzene-1,3-diol
SMILESOCCc1ccc(O)c(F)c1O
InChIInChI=1S/C8H9FO3/c9-7-6(11)2-1-5(3-4-10)8(7)12/h1-2,10-12H,3-4H2
InChIKeyKMMBKWRMDHEALG-UHFFFAOYSA-N
MW172.15 g/mol
LogP0.77
Rot. Bonds2

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

2-fluoro-4-(2-hydroxyethyl)benzene-1,3-diol (PubChem CID 117276910) has the molecular formula C8H9FO3 and a molecular weight of 172.15 g/mol. Its IUPAC name is 2-fluoro-4-(2-hydroxyethyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-fluoro-4-(2-hydroxyethyl)benzene-1,3-diol
PubChem CID117276910
Molecular FormulaC8H9FO3
Molecular Weight172.15 g/mol
Exact Mass172.05
IUPAC Name2-fluoro-4-(2-hydroxyethyl)benzene-1,3-diol
SMILESOCCc1ccc(O)c(F)c1O
InChIInChI=1S/C8H9FO3/c9-7-6(11)2-1-5(3-4-10)8(7)12/h1-2,10-12H,3-4H2
InChIKeyKMMBKWRMDHEALG-UHFFFAOYSA-N
XLogP0.77
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-2,4-dihydroxyphenyl)propanal
CID 117279746
2,3-difluoro-6-(3-hydroxypropyl)phenol
CID 117280989
2,3-difluoro-4-(hydroxymethyl)phenol
CID 67042893
2,4-difluoro-3-(2-hydroxyethyl)phenol
CID 117277061
4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol
CID 117286707
2,4-difluorobenzene-1,3-diol
CID 10844515
2,3-difluoro-4-propylphenol
CID 14495704
2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol
CID 117276602
2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol
CID 117373166
4-[2-(4-fluorophenyl)ethyl]benzene-1,2,3-triol
CID 46195675
2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol
CID 84781540
2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol
CID 117323641

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-hydroxyethyl)benzene-1,3-diol?
The IUPAC name of 2-fluoro-4-(2-hydroxyethyl)benzene-1,3-diol (CID 117276910) is 2-fluoro-4-(2-hydroxyethyl)benzene-1,3-diol.
What is the SMILES notation for 2-fluoro-4-(2-hydroxyethyl)benzene-1,3-diol?
The canonical SMILES for 2-fluoro-4-(2-hydroxyethyl)benzene-1,3-diol is OCCc1ccc(O)c(F)c1O.
What is the InChIKey of 2-fluoro-4-(2-hydroxyethyl)benzene-1,3-diol?
The InChIKey is KMMBKWRMDHEALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3/c9-7-6(11)2-1-5(3-4-10)8(7)12/h1-2,10-12H,3-4H2.
What are the key properties of 2-fluoro-4-(2-hydroxyethyl)benzene-1,3-diol?
2-fluoro-4-(2-hydroxyethyl)benzene-1,3-diol has a molecular weight of 172.15 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-hydroxyethyl)benzene-1,3-diol is sourced from PubChem (CID 117276910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).