1-(5-chloro-2-ethoxy-3-ethyl-4-fluorophenyl)ethanol

C12H16ClFO2 — CID 134600926

IUPAC1-(5-chloro-2-ethoxy-3-ethyl-4-fluorophenyl)ethanol
SMILESCCOc1c(C(C)O)cc(Cl)c(F)c1CC
InChIInChI=1S/C12H16ClFO2/c1-4-8-11(14)10(13)6-9(7(3)15)12(8)16-5-2/h6-7,15H,4-5H2,1-3H3
InChIKeyJPLIOLCGPLVGCT-UHFFFAOYSA-N
MW246.71 g/mol
LogP3.49
Rot. Bonds4

About 1-(5-chloro-2-ethoxy-3-ethyl-4-fluorophenyl)ethanol

1-(5-chloro-2-ethoxy-3-ethyl-4-fluorophenyl)ethanol (PubChem CID 134600926) has the molecular formula C12H16ClFO2 and a molecular weight of 246.71 g/mol. Its IUPAC name is 1-(5-chloro-2-ethoxy-3-ethyl-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-2-ethoxy-3-ethyl-4-fluorophenyl)ethanol
PubChem CID134600926
Molecular FormulaC12H16ClFO2
Molecular Weight246.71 g/mol
Exact Mass246.08
IUPAC Name1-(5-chloro-2-ethoxy-3-ethyl-4-fluorophenyl)ethanol
SMILESCCOc1c(C(C)O)cc(Cl)c(F)c1CC
InChIInChI=1S/C12H16ClFO2/c1-4-8-11(14)10(13)6-9(7(3)15)12(8)16-5-2/h6-7,15H,4-5H2,1-3H3
InChIKeyJPLIOLCGPLVGCT-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethoxy-3-ethyl-4-fluorophenyl)ethanol?
The IUPAC name of 1-(5-chloro-2-ethoxy-3-ethyl-4-fluorophenyl)ethanol (CID 134600926) is 1-(5-chloro-2-ethoxy-3-ethyl-4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(5-chloro-2-ethoxy-3-ethyl-4-fluorophenyl)ethanol?
The canonical SMILES for 1-(5-chloro-2-ethoxy-3-ethyl-4-fluorophenyl)ethanol is CCOc1c(C(C)O)cc(Cl)c(F)c1CC.
What is the InChIKey of 1-(5-chloro-2-ethoxy-3-ethyl-4-fluorophenyl)ethanol?
The InChIKey is JPLIOLCGPLVGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO2/c1-4-8-11(14)10(13)6-9(7(3)15)12(8)16-5-2/h6-7,15H,4-5H2,1-3H3.
What are the key properties of 1-(5-chloro-2-ethoxy-3-ethyl-4-fluorophenyl)ethanol?
1-(5-chloro-2-ethoxy-3-ethyl-4-fluorophenyl)ethanol has a molecular weight of 246.71 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethoxy-3-ethyl-4-fluorophenyl)ethanol is sourced from PubChem (CID 134600926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).