4-(1,3-dioxolan-2-yl)-2-fluorophenol

C9H9FO3 — CID 18443673

IUPAC4-(1,3-dioxolan-2-yl)-2-fluorophenol
SMILESOc1ccc(C2OCCO2)cc1F
InChIInChI=1S/C9H9FO3/c10-7-5-6(1-2-8(7)11)9-12-3-4-13-9/h1-2,5,9,11H,3-4H2
InChIKeyOKCUAEOZVYLCCZ-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.58
Rot. Bonds1

About 4-(1,3-dioxolan-2-yl)-2-fluorophenol

4-(1,3-dioxolan-2-yl)-2-fluorophenol (PubChem CID 18443673) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-2-fluorophenol
PubChem CID18443673
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name4-(1,3-dioxolan-2-yl)-2-fluorophenol
SMILESOc1ccc(C2OCCO2)cc1F
InChIInChI=1S/C9H9FO3/c10-7-5-6(1-2-8(7)11)9-12-3-4-13-9/h1-2,5,9,11H,3-4H2
InChIKeyOKCUAEOZVYLCCZ-UHFFFAOYSA-N
XLogP1.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1,3-dioxolan-2-yl)-2-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-2-fluorophenol?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-2-fluorophenol (CID 18443673) is 4-(1,3-dioxolan-2-yl)-2-fluorophenol.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-2-fluorophenol?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-2-fluorophenol is Oc1ccc(C2OCCO2)cc1F.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-2-fluorophenol?
The InChIKey is OKCUAEOZVYLCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c10-7-5-6(1-2-8(7)11)9-12-3-4-13-9/h1-2,5,9,11H,3-4H2.
What are the key properties of 4-(1,3-dioxolan-2-yl)-2-fluorophenol?
4-(1,3-dioxolan-2-yl)-2-fluorophenol has a molecular weight of 184.17 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-2-fluorophenol is sourced from PubChem (CID 18443673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).