2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol

C16H17FO2 — CID 103975241

IUPAC2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)COc2cccc(C)c2F)cc1
InChIInChI=1S/C16H17FO2/c1-11-6-8-13(9-7-11)14(18)10-19-15-5-3-4-12(2)16(15)17/h3-9,14,18H,10H2,1-2H3
InChIKeyNBXWQJKDINCBBF-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.55
Rot. Bonds4

About 2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol

2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol (PubChem CID 103975241) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol
PubChem CID103975241
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)COc2cccc(C)c2F)cc1
InChIInChI=1S/C16H17FO2/c1-11-6-8-13(9-7-11)14(18)10-19-15-5-3-4-12(2)16(15)17/h3-9,14,18H,10H2,1-2H3
InChIKeyNBXWQJKDINCBBF-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

2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 102977758
2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
1-(4-methylphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanol
CID 63466297
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol
CID 107660344
2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol
CID 63037145
1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 109414138
2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol
CID 112813692
2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
CID 109416073
1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol
CID 114228818
1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol
CID 117244595
2-(2-methylphenoxy)-1-pyridin-4-ylethanol
CID 117246457

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol (CID 103975241) is 2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)COc2cccc(C)c2F)cc1.
What is the InChIKey of 2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol?
The InChIKey is NBXWQJKDINCBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-11-6-8-13(9-7-11)14(18)10-19-15-5-3-4-12(2)16(15)17/h3-9,14,18H,10H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol?
2-(2-fluoro-3-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-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 103975241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).