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

C16H22ClFO2 — CID 114622732

IUPAC2-(3-chloro-2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
SMILESCC1(C)CC(C(O)Cc2cccc(Cl)c2F)C(C)(C)O1
InChIInChI=1S/C16H22ClFO2/c1-15(2)9-11(16(3,4)20-15)13(19)8-10-6-5-7-12(17)14(10)18/h5-7,11,13,19H,8-9H2,1-4H3
InChIKeyICQGYRBLYDHHOA-UHFFFAOYSA-N
MW300.80 g/mol
LogP3.98
Rot. Bonds3

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

2-(3-chloro-2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol (PubChem CID 114622732) has the molecular formula C16H22ClFO2 and a molecular weight of 300.80 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
PubChem CID114622732
Molecular FormulaC16H22ClFO2
Molecular Weight300.80 g/mol
Exact Mass300.13
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
SMILESCC1(C)CC(C(O)Cc2cccc(Cl)c2F)C(C)(C)O1
InChIInChI=1S/C16H22ClFO2/c1-15(2)9-11(16(3,4)20-15)13(19)8-10-6-5-7-12(17)14(10)18/h5-7,11,13,19H,8-9H2,1-4H3
InChIKeyICQGYRBLYDHHOA-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 115838834
2-(2,3-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105052763
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724
2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 102857380
2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol
CID 82802497
3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622047
1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452151
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
1-(3-chloro-2-fluorophenyl)-3-(2-methylphenyl)propan-2-ol
CID 82803418
2-(3-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 82802615

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol (CID 114622732) is 2-(3-chloro-2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol is CC1(C)CC(C(O)Cc2cccc(Cl)c2F)C(C)(C)O1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
The InChIKey is ICQGYRBLYDHHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFO2/c1-15(2)9-11(16(3,4)20-15)13(19)8-10-6-5-7-12(17)14(10)18/h5-7,11,13,19H,8-9H2,1-4H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
2-(3-chloro-2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol has a molecular weight of 300.80 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol is sourced from PubChem (CID 114622732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).