2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol

C16H16ClFO2 — CID 106884046

IUPAC2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)COc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C16H16ClFO2/c1-10-6-11(2)16(14(18)7-10)15(19)9-20-13-5-3-4-12(17)8-13/h3-8,15,19H,9H2,1-2H3
InChIKeyVLKXNBATLFGZAA-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.21
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol

2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol (PubChem CID 106884046) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
PubChem CID106884046
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)COc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C16H16ClFO2/c1-10-6-11(2)16(14(18)7-10)15(19)9-20-13-5-3-4-12(17)8-13/h3-8,15,19H,9H2,1-2H3
InChIKeyVLKXNBATLFGZAA-UHFFFAOYSA-N
XLogP4.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121642
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol
CID 105079210
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 115766345
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 105124244
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106884137
2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121637
1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol
CID 167854837
4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
CID 117244629
(2,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884176
1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethanol
CID 106881025

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
The IUPAC name of 2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol (CID 106884046) is 2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol is Cc1cc(C)c(C(O)COc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
The InChIKey is VLKXNBATLFGZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-10-6-11(2)16(14(18)7-10)15(19)9-20-13-5-3-4-12(17)8-13/h3-8,15,19H,9H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol has a molecular weight of 294.75 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol is sourced from PubChem (CID 106884046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).