1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol

C12H15FO3 — CID 65351287

IUPAC1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1)C1COCCO1
InChIInChI=1S/C12H15FO3/c13-10-3-1-2-9(6-10)7-11(14)12-8-15-4-5-16-12/h1-3,6,11-12,14H,4-5,7-8H2
InChIKeyFJEYEVHYQQPBDQ-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.14
Rot. Bonds3

About 1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol

1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol (PubChem CID 65351287) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol
PubChem CID65351287
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1)C1COCCO1
InChIInChI=1S/C12H15FO3/c13-10-3-1-2-9(6-10)7-11(14)12-8-15-4-5-16-12/h1-3,6,11-12,14H,4-5,7-8H2
InChIKeyFJEYEVHYQQPBDQ-UHFFFAOYSA-N
XLogP1.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol
CID 65350697
1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol
CID 65350862
2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79087183
1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol
CID 65350596
1,4-dioxan-2-yl-(3-fluorophenyl)methanamine
CID 65351089
1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol
CID 64731491
[1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine
CID 105285493
2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol
CID 65350705
1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65352414
1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine
CID 65352870
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 65350986
3-[(3-fluorophenyl)methyl]oxan-4-ol
CID 71649867

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol?
The IUPAC name of 1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol (CID 65351287) is 1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol is OC(Cc1cccc(F)c1)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol?
The InChIKey is FJEYEVHYQQPBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c13-10-3-1-2-9(6-10)7-11(14)12-8-15-4-5-16-12/h1-3,6,11-12,14H,4-5,7-8H2.
What are the key properties of 1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol?
1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol has a molecular weight of 226.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol is sourced from PubChem (CID 65351287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).