1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol

C12H15FO4 — CID 113342471

IUPAC1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)C2COCCO2)c1F
InChIInChI=1S/C12H15FO4/c1-15-9-4-2-3-8(11(9)13)12(14)10-7-16-5-6-17-10/h2-4,10,12,14H,5-7H2,1H3
InChIKeyRYGRGKDOEJFRQD-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.28
Rot. Bonds3

About 1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol

1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol (PubChem CID 113342471) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol
PubChem CID113342471
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Name1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)C2COCCO2)c1F
InChIInChI=1S/C12H15FO4/c1-15-9-4-2-3-8(11(9)13)12(14)10-7-16-5-6-17-10/h2-4,10,12,14H,5-7H2,1H3
InChIKeyRYGRGKDOEJFRQD-UHFFFAOYSA-N
XLogP1.28
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]-1,4-dioxane
CID 55119715
cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol
CID 82808519
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 82807900
N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 55120194
cyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 82805925
2-(1,3-dioxolan-2-yl)-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103547077
(2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol
CID 105499069
1,4-dioxan-2-yl(phenyl)methanol
CID 62803674
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 115828514
1,4-dioxan-2-yl(isoquinolin-5-yl)methanol
CID 65350917

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of 1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol (CID 113342471) is 1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for 1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for 1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol is COc1cccc(C(O)C2COCCO2)c1F.
What is the InChIKey of 1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol?
The InChIKey is RYGRGKDOEJFRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c1-15-9-4-2-3-8(11(9)13)12(14)10-7-16-5-6-17-10/h2-4,10,12,14H,5-7H2,1H3.
What are the key properties of 1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol?
1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol has a molecular weight of 242.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 113342471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).