2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol

C13H17FO2 — CID 114977828

IUPAC2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol
SMILESOC(Cc1ccccc1F)C1CCCCO1
InChIInChI=1S/C13H17FO2/c14-11-6-2-1-5-10(11)9-12(15)13-7-3-4-8-16-13/h1-2,5-6,12-13,15H,3-4,7-9H2
InChIKeyHZVGMNZHNIQSHY-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.30
Rot. Bonds3

About 2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol

2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol (PubChem CID 114977828) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol
PubChem CID114977828
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol
SMILESOC(Cc1ccccc1F)C1CCCCO1
InChIInChI=1S/C13H17FO2/c14-11-6-2-1-5-10(11)9-12(15)13-7-3-4-8-16-13/h1-2,5-6,12-13,15H,3-4,7-9H2
InChIKeyHZVGMNZHNIQSHY-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 115826491
2-naphthalen-1-yl-1-(oxan-2-yl)ethanol
CID 115784699
1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol
CID 105412847
2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol
CID 65331133
2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid
CID 79417997
2-[(2-fluorophenyl)methyl]oxane
CID 20724373
2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol
CID 65331137
2-(2-bromothiophen-3-yl)-1-(oxolan-2-yl)ethanol
CID 130921302
N-[2-(2-chloro-3-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105032641
2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909967
1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 115787220

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol?
The IUPAC name of 2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol (CID 114977828) is 2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol?
The canonical SMILES for 2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol is OC(Cc1ccccc1F)C1CCCCO1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol?
The InChIKey is HZVGMNZHNIQSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c14-11-6-2-1-5-10(11)9-12(15)13-7-3-4-8-16-13/h1-2,5-6,12-13,15H,3-4,7-9H2.
What are the key properties of 2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol?
2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol has a molecular weight of 224.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol is sourced from PubChem (CID 114977828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).