1,4-dioxan-2-yl(phenyl)methanol

C11H14O3 — CID 62803674

IUPAC1,4-dioxan-2-yl(phenyl)methanol
SMILESOC(c1ccccc1)C1COCCO1
InChIInChI=1S/C11H14O3/c12-11(9-4-2-1-3-5-9)10-8-13-6-7-14-10/h1-5,10-12H,6-8H2
InChIKeyWDPULHVNTMYVMU-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.14
Rot. Bonds2

About 1,4-dioxan-2-yl(phenyl)methanol

1,4-dioxan-2-yl(phenyl)methanol (PubChem CID 62803674) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1,4-dioxan-2-yl(phenyl)methanol.

Molecular Properties

Compound Name1,4-dioxan-2-yl(phenyl)methanol
PubChem CID62803674
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1,4-dioxan-2-yl(phenyl)methanol
SMILESOC(c1ccccc1)C1COCCO1
InChIInChI=1S/C11H14O3/c12-11(9-4-2-1-3-5-9)10-8-13-6-7-14-10/h1-5,10-12H,6-8H2
InChIKeyWDPULHVNTMYVMU-UHFFFAOYSA-N
XLogP1.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(1,4-dioxan-2-yl)methanol
CID 62803673
1,4-dioxan-2-yl(pyridin-3-yl)methanol
CID 65350860
1-(1,4-dioxan-2-yl)-2-phenylethanol
CID 57153812
2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol
CID 55120197
(R)-morpholin-2-yl(phenyl)methanol
CID 69108289
2-[chloro-(4-phenylphenyl)methyl]-1,4-dioxane
CID 62804372
[2-(1,4-dioxan-2-yl)-2-phenylethyl] acetate
CID 70623242
1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 65350804
phenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol
CID 102280064
1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 113342471
(R)-[(2R)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997974
(R)-[(2S)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997973

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl(phenyl)methanol?
The IUPAC name of 1,4-dioxan-2-yl(phenyl)methanol (CID 62803674) is 1,4-dioxan-2-yl(phenyl)methanol.
What is the SMILES notation for 1,4-dioxan-2-yl(phenyl)methanol?
The canonical SMILES for 1,4-dioxan-2-yl(phenyl)methanol is OC(c1ccccc1)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl(phenyl)methanol?
The InChIKey is WDPULHVNTMYVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-11(9-4-2-1-3-5-9)10-8-13-6-7-14-10/h1-5,10-12H,6-8H2.
What are the key properties of 1,4-dioxan-2-yl(phenyl)methanol?
1,4-dioxan-2-yl(phenyl)methanol has a molecular weight of 194.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl(phenyl)methanol is sourced from PubChem (CID 62803674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).