2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol

C16H14BrFO3 — CID 105115570

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1cccc2c1OCCO2
InChIInChI=1S/C16H14BrFO3/c17-11-6-10(7-12(18)9-11)8-14(19)13-2-1-3-15-16(13)21-5-4-20-15/h1-3,6-7,9,14,19H,4-5,8H2
InChIKeyBBOGBHKOCBAHEL-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.64
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol

2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol (PubChem CID 105115570) has the molecular formula C16H14BrFO3 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
PubChem CID105115570
Molecular FormulaC16H14BrFO3
Molecular Weight353.19 g/mol
Exact Mass352.01
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1cccc2c1OCCO2
InChIInChI=1S/C16H14BrFO3/c17-11-6-10(7-12(18)9-11)8-14(19)13-2-1-3-15-16(13)21-5-4-20-15/h1-3,6-7,9,14,19H,4-5,8H2
InChIKeyBBOGBHKOCBAHEL-UHFFFAOYSA-N
XLogP3.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 105126709
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822786
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-methylphenyl)ethanol
CID 63016038
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822735
(3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol
CID 105093322
2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol
CID 115822740
2-(3-bromo-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115822817
5-[1-bromo-2-(4-fluorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63018356
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4,4,4-trifluorobutan-1-ol
CID 105104728
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 105087755
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol
CID 79702768
2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol
CID 113453302

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol (CID 105115570) is 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol is OC(Cc1cc(F)cc(Br)c1)c1cccc2c1OCCO2.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol?
The InChIKey is BBOGBHKOCBAHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO3/c17-11-6-10(7-12(18)9-11)8-14(19)13-2-1-3-15-16(13)21-5-4-20-15/h1-3,6-7,9,14,19H,4-5,8H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol?
2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol has a molecular weight of 353.19 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol is sourced from PubChem (CID 105115570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).