(5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol

C9H9FO3 — CID 21221000

IUPAC(5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol
SMILESOCC1COc2cccc(F)c2O1
InChIInChI=1S/C9H9FO3/c10-7-2-1-3-8-9(7)13-6(4-11)5-12-8/h1-3,6,11H,4-5H2
InChIKeyXCEWPVHFPPXOSA-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.96
Rot. Bonds1

About (5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol

(5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol (PubChem CID 21221000) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is (5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol
PubChem CID21221000
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name(5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol
SMILESOCC1COc2cccc(F)c2O1
InChIInChI=1S/C9H9FO3/c10-7-2-1-3-8-9(7)13-6(4-11)5-12-8/h1-3,6,11H,4-5H2
InChIKeyXCEWPVHFPPXOSA-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
The IUPAC name of (5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol (CID 21221000) is (5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol.
What is the SMILES notation for (5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
The canonical SMILES for (5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol is OCC1COc2cccc(F)c2O1.
What is the InChIKey of (5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
The InChIKey is XCEWPVHFPPXOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c10-7-2-1-3-8-9(7)13-6(4-11)5-12-8/h1-3,6,11H,4-5H2.
What are the key properties of (5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
(5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol has a molecular weight of 184.17 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol is sourced from PubChem (CID 21221000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).