1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol

C13H17FO2 — CID 62608272

IUPAC1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
SMILESCc1ccc(F)cc1C(O)CC1CCCO1
InChIInChI=1S/C13H17FO2/c1-9-4-5-10(14)7-12(9)13(15)8-11-3-2-6-16-11/h4-5,7,11,13,15H,2-3,6,8H2,1H3
InChIKeyYAPKYFJNWZGEEY-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.74
Rot. Bonds3

About 1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol

1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol (PubChem CID 62608272) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
PubChem CID62608272
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
SMILESCc1ccc(F)cc1C(O)CC1CCCO1
InChIInChI=1S/C13H17FO2/c1-9-4-5-10(14)7-12(9)13(15)8-11-3-2-6-16-11/h4-5,7,11,13,15H,2-3,6,8H2,1H3
InChIKeyYAPKYFJNWZGEEY-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 62608273
1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol
CID 66271830
1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol
CID 65148287
1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62791351
1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 105397716
1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol
CID 114726295
N-ethyl-1-(5-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164298
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 104769984
1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898634
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
1-(2,4-difluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160611
1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol
CID 65157648

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol (CID 62608272) is 1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol is Cc1ccc(F)cc1C(O)CC1CCCO1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol?
The InChIKey is YAPKYFJNWZGEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-9-4-5-10(14)7-12(9)13(15)8-11-3-2-6-16-11/h4-5,7,11,13,15H,2-3,6,8H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol?
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol has a molecular weight of 224.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol is sourced from PubChem (CID 62608272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).