1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol

C12H17FO3 — CID 103454923

IUPAC1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol
SMILESCCCC(O)C(O)c1cccc(OC)c1F
InChIInChI=1S/C12H17FO3/c1-3-5-9(14)12(15)8-6-4-7-10(16-2)11(8)13/h4,6-7,9,12,14-15H,3,5H2,1-2H3
InChIKeyXOEHLNOWBYTIFB-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.03
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol

1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol (PubChem CID 103454923) has the molecular formula C12H17FO3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol
PubChem CID103454923
Molecular FormulaC12H17FO3
Molecular Weight228.26 g/mol
Exact Mass228.12
IUPAC Name1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol
SMILESCCCC(O)C(O)c1cccc(OC)c1F
InChIInChI=1S/C12H17FO3/c1-3-5-9(14)12(15)8-6-4-7-10(16-2)11(8)13/h4,6-7,9,12,14-15H,3,5H2,1-2H3
InChIKeyXOEHLNOWBYTIFB-UHFFFAOYSA-N
XLogP2.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-2-methylpentan-1-ol
CID 82805526
1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
CID 170819054
2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol
CID 115828563
1-(2,3-difluorophenyl)pentane-1,2-diol
CID 103454950
1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859159
3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 170827247
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol
CID 115828571
N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 82807914
1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol
CID 82808505
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
1-(2-methoxyphenyl)butane-1,2,4-triol
CID 171871923

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol (CID 103454923) is 1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol is CCCC(O)C(O)c1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol?
The InChIKey is XOEHLNOWBYTIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3/c1-3-5-9(14)12(15)8-6-4-7-10(16-2)11(8)13/h4,6-7,9,12,14-15H,3,5H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol?
1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol has a molecular weight of 228.26 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol is sourced from PubChem (CID 103454923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).