(2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol

C15H12F2O3 — CID 61101642

IUPAC(2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
SMILESOC(c1ccc2c(c1)OCCO2)c1cc(F)ccc1F
InChIInChI=1S/C15H12F2O3/c16-10-2-3-12(17)11(8-10)15(18)9-1-4-13-14(7-9)20-6-5-19-13/h1-4,7-8,15,18H,5-6H2
InChIKeyRFQDJYDOSCZBRZ-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.82
Rot. Bonds2

About (2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol

(2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol (PubChem CID 61101642) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
PubChem CID61101642
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name(2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
SMILESOC(c1ccc2c(c1)OCCO2)c1cc(F)ccc1F
InChIInChI=1S/C15H12F2O3/c16-10-2-3-12(17)11(8-10)15(18)9-1-4-13-14(7-9)20-6-5-19-13/h1-4,7-8,15,18H,5-6H2
InChIKeyRFQDJYDOSCZBRZ-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

6-[bromo-(2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61097695
(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 61100918
(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 61099888
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-fluoro-2-methylphenyl)methanol
CID 63894946
1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol
CID 63895819
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100761
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-4-fluorophenyl)methanol
CID 82876026
1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol
CID 110897292
6-[bromo-(5-fluoro-2-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63438352
1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol
CID 61082005

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The IUPAC name of (2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol (CID 61101642) is (2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol.
What is the SMILES notation for (2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The canonical SMILES for (2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol is OC(c1ccc2c(c1)OCCO2)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The InChIKey is RFQDJYDOSCZBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c16-10-2-3-12(17)11(8-10)15(18)9-1-4-13-14(7-9)20-6-5-19-13/h1-4,7-8,15,18H,5-6H2.
What are the key properties of (2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
(2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-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 (2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol is sourced from PubChem (CID 61101642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).