6-[5-fluoro-2-(2-methylpropyl)phenyl]-2,3-dihydro-1,4-benzodioxine

C18H19FO2 — CID 58439286

IUPAC6-[5-fluoro-2-(2-methylpropyl)phenyl]-2,3-dihydro-1,4-benzodioxine
SMILESCC(C)Cc1ccc(F)cc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H19FO2/c1-12(2)9-13-3-5-15(19)11-16(13)14-4-6-17-18(10-14)21-8-7-20-17/h3-6,10-12H,7-9H2,1-2H3
InChIKeyDFBZMKHHDAATGW-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.46
Rot. Bonds3

About 6-[5-fluoro-2-(2-methylpropyl)phenyl]-2,3-dihydro-1,4-benzodioxine

6-[5-fluoro-2-(2-methylpropyl)phenyl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 58439286) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 6-[5-fluoro-2-(2-methylpropyl)phenyl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-[5-fluoro-2-(2-methylpropyl)phenyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID58439286
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name6-[5-fluoro-2-(2-methylpropyl)phenyl]-2,3-dihydro-1,4-benzodioxine
SMILESCC(C)Cc1ccc(F)cc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H19FO2/c1-12(2)9-13-3-5-15(19)11-16(13)14-4-6-17-18(10-14)21-8-7-20-17/h3-6,10-12H,7-9H2,1-2H3
InChIKeyDFBZMKHHDAATGW-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-2-(2-methylpropyl)phenyl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-[5-fluoro-2-(2-methylpropyl)phenyl]-2,3-dihydro-1,4-benzodioxine (CID 58439286) is 6-[5-fluoro-2-(2-methylpropyl)phenyl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-[5-fluoro-2-(2-methylpropyl)phenyl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-[5-fluoro-2-(2-methylpropyl)phenyl]-2,3-dihydro-1,4-benzodioxine is CC(C)Cc1ccc(F)cc1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 6-[5-fluoro-2-(2-methylpropyl)phenyl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is DFBZMKHHDAATGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-12(2)9-13-3-5-15(19)11-16(13)14-4-6-17-18(10-14)21-8-7-20-17/h3-6,10-12H,7-9H2,1-2H3.
What are the key properties of 6-[5-fluoro-2-(2-methylpropyl)phenyl]-2,3-dihydro-1,4-benzodioxine?
6-[5-fluoro-2-(2-methylpropyl)phenyl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 286.35 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-2-(2-methylpropyl)phenyl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 58439286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).