7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol

C12H15FO4 — CID 117357486

IUPAC7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCC(C)(CO)c1c(O)c(F)cc2c1OCCO2
InChIInChI=1S/C12H15FO4/c1-12(2,6-14)9-10(15)7(13)5-8-11(9)17-4-3-16-8/h5,14-15H,3-4,6H2,1-2H3
InChIKeyCAGOFAHWNUTAJM-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.57
Rot. Bonds2

About 7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol

7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 117357486) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is 7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound Name7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID117357486
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Name7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCC(C)(CO)c1c(O)c(F)cc2c1OCCO2
InChIInChI=1S/C12H15FO4/c1-12(2,6-14)9-10(15)7(13)5-8-11(9)17-4-3-16-8/h5,14-15H,3-4,6H2,1-2H3
InChIKeyCAGOFAHWNUTAJM-UHFFFAOYSA-N
XLogP1.57
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117490435
2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methylpropan-1-ol
CID 117353309
2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117318443
2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol
CID 117349268
4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117337246
2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117485122
3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311600
3-(7-fluoro-6-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid
CID 84703227
7-fluoro-6-hydroxy-2,3-dihydro-1,4-benzodioxine-5-carbonitrile
CID 117284928
2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117458635
6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117287928
(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 117411650

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol?
The IUPAC name of 7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol (CID 117357486) is 7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for 7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for 7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol is CC(C)(CO)c1c(O)c(F)cc2c1OCCO2.
What is the InChIKey of 7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is CAGOFAHWNUTAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c1-12(2,6-14)9-10(15)7(13)5-8-11(9)17-4-3-16-8/h5,14-15H,3-4,6H2,1-2H3.
What are the key properties of 7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol?
7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol has a molecular weight of 242.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 117357486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).