(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-fluorophenyl)methanol

C15H12BrFO3 — CID 61080805

IUPAC(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-fluorophenyl)methanol
SMILESOC(c1cccc(F)c1)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C15H12BrFO3/c16-12-8-14-13(19-4-5-20-14)7-11(12)15(18)9-2-1-3-10(17)6-9/h1-3,6-8,15,18H,4-5H2
InChIKeySJRWFMGYPUVHRF-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.44
Rot. Bonds2

About (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-fluorophenyl)methanol

(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-fluorophenyl)methanol (PubChem CID 61080805) has the molecular formula C15H12BrFO3 and a molecular weight of 339.16 g/mol. Its IUPAC name is (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-fluorophenyl)methanol.

Molecular Properties

Compound Name(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-fluorophenyl)methanol
PubChem CID61080805
Molecular FormulaC15H12BrFO3
Molecular Weight339.16 g/mol
Exact Mass338.00
IUPAC Name(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-fluorophenyl)methanol
SMILESOC(c1cccc(F)c1)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C15H12BrFO3/c16-12-8-14-13(19-4-5-20-14)7-11(12)15(18)9-2-1-3-10(17)6-9/h1-3,6-8,15,18H,4-5H2
InChIKeySJRWFMGYPUVHRF-UHFFFAOYSA-N
XLogP3.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 61099888
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-bromo-2-fluorophenyl)methanol
CID 61080809
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-4-methylphenyl)methanol
CID 63195028
4-bromo-2-fluoro-5-[(3-fluorophenyl)-hydroxymethyl]benzonitrile
CID 121418289
(4-bromothiophen-3-yl)-(3-fluorophenyl)methanol
CID 79595378
6-bromo-7-[(2-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1,4-benzodioxine
CID 63433202
(5-bromo-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 63893368
(4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 105399342
(2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61101642
(3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol
CID 105093322
(3-fluorophenyl)-[6-(4-methylsulfanylphenyl)-1,3-benzodioxol-5-yl]methanol
CID 11222398
6-[chloro-(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61084137

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-fluorophenyl)methanol?
The IUPAC name of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-fluorophenyl)methanol (CID 61080805) is (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-fluorophenyl)methanol.
What is the SMILES notation for (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-fluorophenyl)methanol?
The canonical SMILES for (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-fluorophenyl)methanol is OC(c1cccc(F)c1)c1cc2c(cc1Br)OCCO2.
What is the InChIKey of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-fluorophenyl)methanol?
The InChIKey is SJRWFMGYPUVHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO3/c16-12-8-14-13(19-4-5-20-14)7-11(12)15(18)9-2-1-3-10(17)6-9/h1-3,6-8,15,18H,4-5H2.
What are the key properties of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-fluorophenyl)methanol?
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-fluorophenyl)methanol has a molecular weight of 339.16 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-fluorophenyl)methanol is sourced from PubChem (CID 61080805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).