1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol

C10H13FO4 — CID 170819054

IUPAC1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
SMILESCOc1cccc(C(O)C(O)CO)c1F
InChIInChI=1S/C10H13FO4/c1-15-8-4-2-3-6(9(8)11)10(14)7(13)5-12/h2-4,7,10,12-14H,5H2,1H3
InChIKeyKBIUJVKGNIKNHP-UHFFFAOYSA-N
MW216.21 g/mol
LogP0.22
Rot. Bonds4

About 1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol

1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol (PubChem CID 170819054) has the molecular formula C10H13FO4 and a molecular weight of 216.21 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
PubChem CID170819054
Molecular FormulaC10H13FO4
Molecular Weight216.21 g/mol
Exact Mass216.08
IUPAC Name1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
SMILESCOc1cccc(C(O)C(O)CO)c1F
InChIInChI=1S/C10H13FO4/c1-15-8-4-2-3-6(9(8)11)10(14)7(13)5-12/h2-4,7,10,12-14H,5H2,1H3
InChIKeyKBIUJVKGNIKNHP-UHFFFAOYSA-N
XLogP0.22
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol
CID 103454923
1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859159
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 170827247
1-(2-fluoro-3-methoxyphenyl)-2-methylpentan-1-ol
CID 82805526
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol
CID 115828571
2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol
CID 115828563
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol (CID 170819054) is 1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol is COc1cccc(C(O)C(O)CO)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol?
The InChIKey is KBIUJVKGNIKNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO4/c1-15-8-4-2-3-6(9(8)11)10(14)7(13)5-12/h2-4,7,10,12-14H,5H2,1H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol?
1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol has a molecular weight of 216.21 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol is sourced from PubChem (CID 170819054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).