2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol

C17H19FO3 — CID 103865817

IUPAC2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol
SMILESCCc1ccc(OCC(O)c2ccccc2F)c(OC)c1
InChIInChI=1S/C17H19FO3/c1-3-12-8-9-16(17(10-12)20-2)21-11-15(19)13-6-4-5-7-14(13)18/h4-10,15,19H,3,11H2,1-2H3
InChIKeyKTRKKFKZPDKRPR-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.51
Rot. Bonds6

About 2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol

2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol (PubChem CID 103865817) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol
PubChem CID103865817
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol
SMILESCCc1ccc(OCC(O)c2ccccc2F)c(OC)c1
InChIInChI=1S/C17H19FO3/c1-3-12-8-9-16(17(10-12)20-2)21-11-15(19)13-6-4-5-7-14(13)18/h4-10,15,19H,3,11H2,1-2H3
InChIKeyKTRKKFKZPDKRPR-UHFFFAOYSA-N
XLogP3.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-fluorophenyl)-2-hydroxyethoxy]-3-methoxybenzonitrile
CID 110885092
1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 107663977
1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone
CID 110017843
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanol
CID 63038192
1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol
CID 110885135
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(2-fluorophenyl)-2-hydroxyethyl]guanidine
CID 111058164
1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 107664454
2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076742
1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene
CID 107664506
ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol
CID 145133787
1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene
CID 107664512
[(2R)-1-hydroxybutan-2-yl]-[[4-[(2R)-2-hydroxy-2-phenylethoxy]-3-methoxyphenyl]methyl]azanium
CID 7379156

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol (CID 103865817) is 2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol is CCc1ccc(OCC(O)c2ccccc2F)c(OC)c1.
What is the InChIKey of 2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol?
The InChIKey is KTRKKFKZPDKRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO3/c1-3-12-8-9-16(17(10-12)20-2)21-11-15(19)13-6-4-5-7-14(13)18/h4-10,15,19H,3,11H2,1-2H3.
What are the key properties of 2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol?
2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol has a molecular weight of 290.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 103865817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).