1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol

C14H19FO2 — CID 115789568

IUPAC1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol
SMILESCc1ccc(F)c(C(O)CC2CCOCC2)c1
InChIInChI=1S/C14H19FO2/c1-10-2-3-13(15)12(8-10)14(16)9-11-4-6-17-7-5-11/h2-3,8,11,14,16H,4-7,9H2,1H3
InChIKeyZPANCZRISCMFPY-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.98
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol

1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol (PubChem CID 115789568) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol
PubChem CID115789568
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol
SMILESCc1ccc(F)c(C(O)CC2CCOCC2)c1
InChIInChI=1S/C14H19FO2/c1-10-2-3-13(15)12(8-10)14(16)9-11-4-6-17-7-5-11/h2-3,8,11,14,16H,4-7,9H2,1H3
InChIKeyZPANCZRISCMFPY-UHFFFAOYSA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-5-methylphenyl)-(oxolan-3-yl)methanol
CID 63893222
1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol
CID 115789569
(S)-(2-fluoro-5-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241011
(R)-(2-fluoro-5-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247730
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 115794441
1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol
CID 115789579
2-cyclopentyl-1-(2,5-difluorophenyl)ethanol
CID 61101489
2-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 55297664
1-(2-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986373
[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105309984
1-(2-fluoro-5-methylphenyl)but-3-en-1-ol
CID 116659989
1-(2-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 62789444

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol (CID 115789568) is 1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol is Cc1ccc(F)c(C(O)CC2CCOCC2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol?
The InChIKey is ZPANCZRISCMFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-10-2-3-13(15)12(8-10)14(16)9-11-4-6-17-7-5-11/h2-3,8,11,14,16H,4-7,9H2,1H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol?
1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol has a molecular weight of 238.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol is sourced from PubChem (CID 115789568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).