1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol

C12H17FO2 — CID 105078293

IUPAC1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCC(C)(C)OCC(O)c1cccc(F)c1
InChIInChI=1S/C12H17FO2/c1-12(2,3)15-8-11(14)9-5-4-6-10(13)7-9/h4-7,11,14H,8H2,1-3H3
InChIKeyYMFGQEIHDUSZRE-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.67
Rot. Bonds3

About 1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol

1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol (PubChem CID 105078293) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
PubChem CID105078293
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCC(C)(C)OCC(O)c1cccc(F)c1
InChIInChI=1S/C12H17FO2/c1-12(2,3)15-8-11(14)9-5-4-6-10(13)7-9/h4-7,11,14H,8H2,1-3H3
InChIKeyYMFGQEIHDUSZRE-UHFFFAOYSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105092686
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
(1S)-1-(3-fluorophenyl)-5,5-dimethylhexan-1-ol;hydrochloride
CID 158976565
1-(3-cyclopropyloxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105131484
2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 112592372
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol
CID 115515411
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940549
tert-butyl N-[(3S)-3-(3-fluorophenyl)-3-hydroxypropoxy]carbamate
CID 155695819
tert-butyl N-[(3R)-3-(3-fluorophenyl)-3-hydroxypropoxy]carbamate
CID 154648435
1-(3-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448822
1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol
CID 107151876

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol (CID 105078293) is 1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol is CC(C)(C)OCC(O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The InChIKey is YMFGQEIHDUSZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-12(2,3)15-8-11(14)9-5-4-6-10(13)7-9/h4-7,11,14H,8H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol has a molecular weight of 212.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol is sourced from PubChem (CID 105078293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).