1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol

C12H16F2O3 — CID 114228810

IUPAC1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(O)COc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2O3/c1-12(2,16-3)11(15)7-17-10-5-8(13)4-9(14)6-10/h4-6,11,15H,7H2,1-3H3
InChIKeyDFGHPBFPJLKALW-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.13
Rot. Bonds5

About 1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol

1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol (PubChem CID 114228810) has the molecular formula C12H16F2O3 and a molecular weight of 246.25 g/mol. Its IUPAC name is 1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol
PubChem CID114228810
Molecular FormulaC12H16F2O3
Molecular Weight246.25 g/mol
Exact Mass246.11
IUPAC Name1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(O)COc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2O3/c1-12(2,16-3)11(15)7-17-10-5-8(13)4-9(14)6-10/h4-6,11,15H,7H2,1-3H3
InChIKeyDFGHPBFPJLKALW-UHFFFAOYSA-N
XLogP2.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
CID 105405745
1-(3,5-difluorophenoxy)propan-2-ol
CID 62784687
3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol
CID 114228799
1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol
CID 114228818
2-(3,5-difluorophenoxy)-1-(4-methoxyphenyl)ethanol
CID 62783768
1-bromo-3-(3,5-difluorophenoxy)propan-2-ol
CID 112560779
1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62785219
3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol
CID 68631534
1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 113317787
2-(3,5-difluorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 62783956
1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
CID 79197177
3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol
CID 81217572

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol?
The IUPAC name of 1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol (CID 114228810) is 1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol is COC(C)(C)C(O)COc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol?
The InChIKey is DFGHPBFPJLKALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O3/c1-12(2,16-3)11(15)7-17-10-5-8(13)4-9(14)6-10/h4-6,11,15H,7H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol?
1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol has a molecular weight of 246.25 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 114228810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).