4-ethyl-5-fluorobenzene-1,3-diol

C8H9FO2 — CID 85471319

IUPAC4-ethyl-5-fluorobenzene-1,3-diol
SMILESCCc1c(O)cc(O)cc1F
InChIInChI=1S/C8H9FO2/c1-2-6-7(9)3-5(10)4-8(6)11/h3-4,10-11H,2H2,1H3
InChIKeyGJVVTWQXSOPPFB-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.80
Rot. Bonds1

About 4-ethyl-5-fluorobenzene-1,3-diol

4-ethyl-5-fluorobenzene-1,3-diol (PubChem CID 85471319) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is 4-ethyl-5-fluorobenzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-5-fluorobenzene-1,3-diol
PubChem CID85471319
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name4-ethyl-5-fluorobenzene-1,3-diol
SMILESCCc1c(O)cc(O)cc1F
InChIInChI=1S/C8H9FO2/c1-2-6-7(9)3-5(10)4-8(6)11/h3-4,10-11H,2H2,1H3
InChIKeyGJVVTWQXSOPPFB-UHFFFAOYSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluorobenzene-1,3-diol?
The IUPAC name of 4-ethyl-5-fluorobenzene-1,3-diol (CID 85471319) is 4-ethyl-5-fluorobenzene-1,3-diol.
What is the SMILES notation for 4-ethyl-5-fluorobenzene-1,3-diol?
The canonical SMILES for 4-ethyl-5-fluorobenzene-1,3-diol is CCc1c(O)cc(O)cc1F.
What is the InChIKey of 4-ethyl-5-fluorobenzene-1,3-diol?
The InChIKey is GJVVTWQXSOPPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2/c1-2-6-7(9)3-5(10)4-8(6)11/h3-4,10-11H,2H2,1H3.
What are the key properties of 4-ethyl-5-fluorobenzene-1,3-diol?
4-ethyl-5-fluorobenzene-1,3-diol has a molecular weight of 156.16 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluorobenzene-1,3-diol is sourced from PubChem (CID 85471319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).