1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol

C14H18F2O2 — CID 64560809

IUPAC1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol
SMILESOC(Cc1ccc(F)cc1F)CC1CCOCC1
InChIInChI=1S/C14H18F2O2/c15-12-2-1-11(14(16)9-12)8-13(17)7-10-3-5-18-6-4-10/h1-2,9-10,13,17H,3-8H2
InChIKeyZBMWQBOUOVOKJE-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.68
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol

1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol (PubChem CID 64560809) has the molecular formula C14H18F2O2 and a molecular weight of 256.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol
PubChem CID64560809
Molecular FormulaC14H18F2O2
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC Name1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol
SMILESOC(Cc1ccc(F)cc1F)CC1CCOCC1
InChIInChI=1S/C14H18F2O2/c15-12-2-1-11(14(16)9-12)8-13(17)7-10-3-5-18-6-4-10/h1-2,9-10,13,17H,3-8H2
InChIKeyZBMWQBOUOVOKJE-UHFFFAOYSA-N
XLogP2.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine
CID 103986773
2-(2,4-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 64561011
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol
CID 105131232
1-cyclohexyl-2-(2,4-difluorophenyl)ethanol
CID 62195897
1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene
CID 103166568
1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 102623074
N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920891
(2,4-difluorophenyl)-(oxan-4-yl)methanol
CID 62905509
1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 64561385
1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547378
[1-cyclobutyl-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105223148

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol (CID 64560809) is 1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol is OC(Cc1ccc(F)cc1F)CC1CCOCC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol?
The InChIKey is ZBMWQBOUOVOKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O2/c15-12-2-1-11(14(16)9-12)8-13(17)7-10-3-5-18-6-4-10/h1-2,9-10,13,17H,3-8H2.
What are the key properties of 1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol?
1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol has a molecular weight of 256.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol is sourced from PubChem (CID 64560809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).