(6-fluoro-4H-1,3-benzodioxin-8-yl)methanol

C9H9FO3 — CID 2779909

IUPAC(6-fluoro-4H-1,3-benzodioxin-8-yl)methanol
SMILESOCc1cc(F)cc2c1OCOC2
InChIInChI=1S/C9H9FO3/c10-8-1-6(3-11)9-7(2-8)4-12-5-13-9/h1-2,11H,3-5H2
InChIKeyYLADDVZIEBXWQU-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.18
Rot. Bonds1

About (6-fluoro-4H-1,3-benzodioxin-8-yl)methanol

(6-fluoro-4H-1,3-benzodioxin-8-yl)methanol (PubChem CID 2779909) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is (6-fluoro-4H-1,3-benzodioxin-8-yl)methanol.

Molecular Properties

Compound Name(6-fluoro-4H-1,3-benzodioxin-8-yl)methanol
PubChem CID2779909
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name(6-fluoro-4H-1,3-benzodioxin-8-yl)methanol
SMILESOCc1cc(F)cc2c1OCOC2
InChIInChI=1S/C9H9FO3/c10-8-1-6(3-11)9-7(2-8)4-12-5-13-9/h1-2,11H,3-5H2
InChIKeyYLADDVZIEBXWQU-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-chloro-4H-1,3-benzodioxin-8-yl)methanol
CID 16770161
3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine
CID 170865915
(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methanol
CID 55252783
2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,1,3,3-tetramethylguanidine
CID 111069970
methyl 2-amino-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)propanoate
CID 170883507
N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropanecarboxamide
CID 2811098
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide
CID 47180608
1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 119131007
3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidine
CID 84798500
2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]isoquinolin-2-ium
CID 24512272
1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine
CID 17482114
1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-[(2S)-3-hydroxy-2-methylpropyl]urea
CID 94555448

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-4H-1,3-benzodioxin-8-yl)methanol?
The IUPAC name of (6-fluoro-4H-1,3-benzodioxin-8-yl)methanol (CID 2779909) is (6-fluoro-4H-1,3-benzodioxin-8-yl)methanol.
What is the SMILES notation for (6-fluoro-4H-1,3-benzodioxin-8-yl)methanol?
The canonical SMILES for (6-fluoro-4H-1,3-benzodioxin-8-yl)methanol is OCc1cc(F)cc2c1OCOC2.
What is the InChIKey of (6-fluoro-4H-1,3-benzodioxin-8-yl)methanol?
The InChIKey is YLADDVZIEBXWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c10-8-1-6(3-11)9-7(2-8)4-12-5-13-9/h1-2,11H,3-5H2.
What are the key properties of (6-fluoro-4H-1,3-benzodioxin-8-yl)methanol?
(6-fluoro-4H-1,3-benzodioxin-8-yl)methanol has a molecular weight of 184.17 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-4H-1,3-benzodioxin-8-yl)methanol is sourced from PubChem (CID 2779909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).