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

C15H20BrFO2 — CID 115822702

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
SMILESCC1OC(C)C(C(O)Cc2cc(F)cc(Br)c2)C1C
InChIInChI=1S/C15H20BrFO2/c1-8-9(2)19-10(3)15(8)14(18)6-11-4-12(16)7-13(17)5-11/h4-5,7-10,14-15,18H,6H2,1-3H3
InChIKeyCBWKZPOZMQULJI-UHFFFAOYSA-N
MW331.23 g/mol
LogP3.55
Rot. Bonds3

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

2-(3-bromo-5-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol (PubChem CID 115822702) has the molecular formula C15H20BrFO2 and a molecular weight of 331.23 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
PubChem CID115822702
Molecular FormulaC15H20BrFO2
Molecular Weight331.23 g/mol
Exact Mass330.06
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
SMILESCC1OC(C)C(C(O)Cc2cc(F)cc(Br)c2)C1C
InChIInChI=1S/C15H20BrFO2/c1-8-9(2)19-10(3)15(8)14(18)6-11-4-12(16)7-13(17)5-11/h4-5,7-10,14-15,18H,6H2,1-3H3
InChIKeyCBWKZPOZMQULJI-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105015421
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 106274426
1-(3-bromo-5-fluorophenyl)-3-ethylpentan-2-ol
CID 79703019
3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol
CID 79709487
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
1-(4-bromo-2,6-difluorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822678
1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol
CID 115822808
1-(3-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 79701664
2-(3-bromo-5-fluorophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanol
CID 79969596
3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane
CID 65159640
2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol
CID 113453302
2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155838

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol (CID 115822702) is 2-(3-bromo-5-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol is CC1OC(C)C(C(O)Cc2cc(F)cc(Br)c2)C1C.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The InChIKey is CBWKZPOZMQULJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFO2/c1-8-9(2)19-10(3)15(8)14(18)6-11-4-12(16)7-13(17)5-11/h4-5,7-10,14-15,18H,6H2,1-3H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
2-(3-bromo-5-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol has a molecular weight of 331.23 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol is sourced from PubChem (CID 115822702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).