1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol

C11H15FO2 — CID 164891517

IUPAC1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol
SMILESCCOc1cc(C)c(F)c(C(C)O)c1
InChIInChI=1S/C11H15FO2/c1-4-14-9-5-7(2)11(12)10(6-9)8(3)13/h5-6,8,13H,4H2,1-3H3
InChIKeyOVVITAJTKUSAJA-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.59
Rot. Bonds3

About 1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol

1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol (PubChem CID 164891517) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol
PubChem CID164891517
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol
SMILESCCOc1cc(C)c(F)c(C(C)O)c1
InChIInChI=1S/C11H15FO2/c1-4-14-9-5-7(2)11(12)10(6-9)8(3)13/h5-6,8,13H,4H2,1-3H3
InChIKeyOVVITAJTKUSAJA-UHFFFAOYSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol?
The IUPAC name of 1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol (CID 164891517) is 1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol.
What is the SMILES notation for 1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol?
The canonical SMILES for 1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol is CCOc1cc(C)c(F)c(C(C)O)c1.
What is the InChIKey of 1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol?
The InChIKey is OVVITAJTKUSAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-4-14-9-5-7(2)11(12)10(6-9)8(3)13/h5-6,8,13H,4H2,1-3H3.
What are the key properties of 1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol?
1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol has a molecular weight of 198.24 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol is sourced from PubChem (CID 164891517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).