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

C15H20ClFO2 — CID 115785318

IUPAC2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
SMILESCC1OC(C)C(C(O)Cc2ccc(F)cc2Cl)C1C
InChIInChI=1S/C15H20ClFO2/c1-8-9(2)19-10(3)15(8)14(18)6-11-4-5-12(17)7-13(11)16/h4-5,7-10,14-15,18H,6H2,1-3H3
InChIKeyLFLYOYZWKXMDDJ-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.44
Rot. Bonds3

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

2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol (PubChem CID 115785318) has the molecular formula C15H20ClFO2 and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
PubChem CID115785318
Molecular FormulaC15H20ClFO2
Molecular Weight286.77 g/mol
Exact Mass286.11
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
SMILESCC1OC(C)C(C(O)Cc2ccc(F)cc2Cl)C1C
InChIInChI=1S/C15H20ClFO2/c1-8-9(2)19-10(3)15(8)14(18)6-11-4-5-12(17)7-13(11)16/h4-5,7-10,14-15,18H,6H2,1-3H3
InChIKeyLFLYOYZWKXMDDJ-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol
CID 65399387
2-(3-bromo-5-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 115822702
1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 62607073
(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 94505356
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 106274426
2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 65409768
2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 65410795
1-(2-chloro-4-fluorophenyl)dodecan-2-ol
CID 63410954
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
2-(2-chloro-4-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607143
(4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115827775
2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155838

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol (CID 115785318) is 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol is CC1OC(C)C(C(O)Cc2ccc(F)cc2Cl)C1C.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The InChIKey is LFLYOYZWKXMDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO2/c1-8-9(2)19-10(3)15(8)14(18)6-11-4-5-12(17)7-13(11)16/h4-5,7-10,14-15,18H,6H2,1-3H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol has a molecular weight of 286.77 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol is sourced from PubChem (CID 115785318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).