1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol

C14H19FO3 — CID 115789579

IUPAC1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol
SMILESCOc1cc(C(O)CC2CCOCC2)ccc1F
InChIInChI=1S/C14H19FO3/c1-17-14-9-11(2-3-12(14)15)13(16)8-10-4-6-18-7-5-10/h2-3,9-10,13,16H,4-8H2,1H3
InChIKeyHHOQDLBQUFRLSA-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.68
Rot. Bonds4

About 1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol

1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol (PubChem CID 115789579) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol
PubChem CID115789579
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol
SMILESCOc1cc(C(O)CC2CCOCC2)ccc1F
InChIInChI=1S/C14H19FO3/c1-17-14-9-11(2-3-12(14)15)13(16)8-10-4-6-18-7-5-10/h2-3,9-10,13,16H,4-8H2,1H3
InChIKeyHHOQDLBQUFRLSA-UHFFFAOYSA-N
XLogP2.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol
CID 115810701
2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 112693539
cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
CID 115829463
N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855741
[2-cyclopentyl-1-(4-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105299048
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846607
1-(4-fluoro-3-methoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816783
1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
CID 115527745
1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol
CID 115789651
1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol
CID 115789568
1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol
CID 65150488
2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol
CID 114458561

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol (CID 115789579) is 1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol is COc1cc(C(O)CC2CCOCC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol?
The InChIKey is HHOQDLBQUFRLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c1-17-14-9-11(2-3-12(14)15)13(16)8-10-4-6-18-7-5-10/h2-3,9-10,13,16H,4-8H2,1H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol?
1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol has a molecular weight of 254.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol is sourced from PubChem (CID 115789579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).