2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol

C16H17FO2 — CID 102977758

IUPAC2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)COc2cc(F)ccc2C)cc1
InChIInChI=1S/C16H17FO2/c1-11-3-6-13(7-4-11)15(18)10-19-16-9-14(17)8-5-12(16)2/h3-9,15,18H,10H2,1-2H3
InChIKeyYDWTYIYOAGNBMY-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.55
Rot. Bonds4

About 2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol

2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol (PubChem CID 102977758) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol
PubChem CID102977758
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)COc2cc(F)ccc2C)cc1
InChIInChI=1S/C16H17FO2/c1-11-3-6-13(7-4-11)15(18)10-19-16-9-14(17)8-5-12(16)2/h3-9,15,18H,10H2,1-2H3
InChIKeyYDWTYIYOAGNBMY-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanol
CID 63466297
2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 103975241
2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol
CID 63269758
3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide
CID 109416412
2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 109414138
2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol
CID 112813692
1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol
CID 84746272
1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine
CID 102981071
2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
CID 109415720
2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 102981023
3-[2-(3-fluoro-4-methoxyphenyl)-2-hydroxyethoxy]-4-methylbenzonitrile
CID 109416668

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol (CID 102977758) is 2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)COc2cc(F)ccc2C)cc1.
What is the InChIKey of 2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol?
The InChIKey is YDWTYIYOAGNBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-11-3-6-13(7-4-11)15(18)10-19-16-9-14(17)8-5-12(16)2/h3-9,15,18H,10H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol?
2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol has a molecular weight of 260.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 102977758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).