2-(2-butyl-3-fluorophenoxy)ethanol

C12H17FO2 — CID 58241917

IUPAC2-(2-butyl-3-fluorophenoxy)ethanol
SMILESCCCCc1c(F)cccc1OCCO
InChIInChI=1S/C12H17FO2/c1-2-3-5-10-11(13)6-4-7-12(10)15-9-8-14/h4,6-7,14H,2-3,5,8-9H2,1H3
InChIKeyMUJBWJXTXKLPDT-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.54
Rot. Bonds6

About 2-(2-butyl-3-fluorophenoxy)ethanol

2-(2-butyl-3-fluorophenoxy)ethanol (PubChem CID 58241917) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-(2-butyl-3-fluorophenoxy)ethanol.

Molecular Properties

Compound Name2-(2-butyl-3-fluorophenoxy)ethanol
PubChem CID58241917
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name2-(2-butyl-3-fluorophenoxy)ethanol
SMILESCCCCc1c(F)cccc1OCCO
InChIInChI=1S/C12H17FO2/c1-2-3-5-10-11(13)6-4-7-12(10)15-9-8-14/h4,6-7,14H,2-3,5,8-9H2,1H3
InChIKeyMUJBWJXTXKLPDT-UHFFFAOYSA-N
XLogP2.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-butyl-6-fluorophenoxy)ethanol
CID 58241999
2-butoxy-6-fluoroaniline
CID 60790205
2-fluoro-1-hexoxy-3-methylbenzene
CID 107662011
1-dodecoxy-2,3-difluorobenzene
CID 15854521
2-(2-dodecylphenoxy)ethanol
CID 14475097
2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700
1,3-di(pentadecoxy)-2-propylbenzene
CID 91341779
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 23465356
3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol
CID 43285956
1,3-dibutoxy-2-methylbenzene
CID 14475066
(2-butoxy-6-fluorophenyl)-dimethylborane
CID 67978515

Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-3-fluorophenoxy)ethanol?
The IUPAC name of 2-(2-butyl-3-fluorophenoxy)ethanol (CID 58241917) is 2-(2-butyl-3-fluorophenoxy)ethanol.
What is the SMILES notation for 2-(2-butyl-3-fluorophenoxy)ethanol?
The canonical SMILES for 2-(2-butyl-3-fluorophenoxy)ethanol is CCCCc1c(F)cccc1OCCO.
What is the InChIKey of 2-(2-butyl-3-fluorophenoxy)ethanol?
The InChIKey is MUJBWJXTXKLPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-2-3-5-10-11(13)6-4-7-12(10)15-9-8-14/h4,6-7,14H,2-3,5,8-9H2,1H3.
What are the key properties of 2-(2-butyl-3-fluorophenoxy)ethanol?
2-(2-butyl-3-fluorophenoxy)ethanol has a molecular weight of 212.26 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-3-fluorophenoxy)ethanol is sourced from PubChem (CID 58241917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).