3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol

C11H13FO3 — CID 117302756

IUPAC3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol
SMILESOCCCc1c(F)ccc2c1COCO2
InChIInChI=1S/C11H13FO3/c12-10-3-4-11-9(6-14-7-15-11)8(10)2-1-5-13/h3-4,13H,1-2,5-7H2
InChIKeyUQLNVWWGTIINIC-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.62
Rot. Bonds3

About 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol

3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol (PubChem CID 117302756) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol
PubChem CID117302756
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol
SMILESOCCCc1c(F)ccc2c1COCO2
InChIInChI=1S/C11H13FO3/c12-10-3-4-11-9(6-14-7-15-11)8(10)2-1-5-13/h3-4,13H,1-2,5-7H2
InChIKeyUQLNVWWGTIINIC-UHFFFAOYSA-N
XLogP1.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-fluoro-4H-1,3-benzodioxin-5-yl)butanoic acid
CID 117352753
3-(6-methoxy-4H-1,3-benzodioxin-5-yl)propan-1-ol
CID 117321952
1-[(6-fluoro-4H-1,3-benzodioxin-5-yl)methyl]cyclopropan-1-ol
CID 117321540
1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine
CID 84667457
(6-bromo-4H-1,3-benzodioxin-5-yl)methanol
CID 84704764
4-(6-chloro-4H-1,3-benzodioxin-5-yl)butanoic acid
CID 117394971
2-(6-bromo-4H-1,3-benzodioxin-5-yl)ethanamine
CID 84709288
1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopentane-1-carboxylic acid
CID 117419382
3-(6-fluoro-4H-1,3-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117344219
3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol
CID 117305527
3-(6-methoxy-4H-1,3-benzodioxin-5-yl)propanoic acid
CID 84700627
2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine
CID 84700030

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol?
The IUPAC name of 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol (CID 117302756) is 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol.
What is the SMILES notation for 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol?
The canonical SMILES for 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol is OCCCc1c(F)ccc2c1COCO2.
What is the InChIKey of 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol?
The InChIKey is UQLNVWWGTIINIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c12-10-3-4-11-9(6-14-7-15-11)8(10)2-1-5-13/h3-4,13H,1-2,5-7H2.
What are the key properties of 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol?
3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol has a molecular weight of 212.22 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol is sourced from PubChem (CID 117302756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).