2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol

C15H19BrF2O2 — CID 106274426

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
SMILESCC1OC(C)C(C(O)Cc2c(F)ccc(Br)c2F)C1C
InChIInChI=1S/C15H19BrF2O2/c1-7-8(2)20-9(3)14(7)13(19)6-10-12(17)5-4-11(16)15(10)18/h4-5,7-9,13-14,19H,6H2,1-3H3
InChIKeyYXGLCUFPTQZHJR-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.69
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol

2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol (PubChem CID 106274426) has the molecular formula C15H19BrF2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
PubChem CID106274426
Molecular FormulaC15H19BrF2O2
Molecular Weight349.22 g/mol
Exact Mass348.05
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
SMILESCC1OC(C)C(C(O)Cc2c(F)ccc(Br)c2F)C1C
InChIInChI=1S/C15H19BrF2O2/c1-7-8(2)20-9(3)14(7)13(19)6-10-12(17)5-4-11(16)15(10)18/h4-5,7-9,13-14,19H,6H2,1-3H3
InChIKeyYXGLCUFPTQZHJR-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(5-methyloxolan-2-yl)ethanol
CID 106265571
(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 106765094
2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 115782694
2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 115785318
3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine
CID 106273471
1-(3-bromo-2,6-difluorophenyl)-4-(4-methylphenyl)butan-2-ol
CID 106274397
2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 106267698
4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 106273281
2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114165938
1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
CID 106265334
2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol
CID 106265752
[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 106270740

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol (CID 106274426) is 2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol is CC1OC(C)C(C(O)Cc2c(F)ccc(Br)c2F)C1C.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The InChIKey is YXGLCUFPTQZHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF2O2/c1-7-8(2)20-9(3)14(7)13(19)6-10-12(17)5-4-11(16)15(10)18/h4-5,7-9,13-14,19H,6H2,1-3H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol has a molecular weight of 349.22 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol is sourced from PubChem (CID 106274426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).