(3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol

C15H12F2O3 — CID 105093322

IUPAC(3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol
SMILESOC(c1cc(F)cc(F)c1)c1cccc2c1OCCO2
InChIInChI=1S/C15H12F2O3/c16-10-6-9(7-11(17)8-10)14(18)12-2-1-3-13-15(12)20-5-4-19-13/h1-3,6-8,14,18H,4-5H2
InChIKeyCFNBVNAYPQCYKD-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.82
Rot. Bonds2

About (3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol

(3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol (PubChem CID 105093322) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol
PubChem CID105093322
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name(3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol
SMILESOC(c1cc(F)cc(F)c1)c1cccc2c1OCCO2
InChIInChI=1S/C15H12F2O3/c16-10-6-9(7-11(17)8-10)14(18)12-2-1-3-13-15(12)20-5-4-19-13/h1-3,6-8,14,18H,4-5H2
InChIKeyCFNBVNAYPQCYKD-UHFFFAOYSA-N
XLogP2.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol
CID 105091733
2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 105125287
2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 105115570
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-fluorophenyl)methanol
CID 61080805
2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102649829
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4,4,4-trifluorobutan-1-ol
CID 105104728
(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine
CID 130673960
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol
CID 106644628
2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine
CID 105142758
2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine
CID 105119551
2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid
CID 82395199
5-[1-bromo-2-(4-fluorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63018356

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol?
The IUPAC name of (3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol (CID 105093322) is (3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol.
What is the SMILES notation for (3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol?
The canonical SMILES for (3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol is OC(c1cc(F)cc(F)c1)c1cccc2c1OCCO2.
What is the InChIKey of (3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol?
The InChIKey is CFNBVNAYPQCYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c16-10-6-9(7-11(17)8-10)14(18)12-2-1-3-13-15(12)20-5-4-19-13/h1-3,6-8,14,18H,4-5H2.
What are the key properties of (3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol?
(3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol has a molecular weight of 278.25 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol is sourced from PubChem (CID 105093322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).