1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol

C9H11FO3 — CID 146455332

IUPAC1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol
SMILESCOc1cccc(F)c1C(O)CO
InChIInChI=1S/C9H11FO3/c1-13-8-4-2-3-6(10)9(8)7(12)5-11/h2-4,7,11-12H,5H2,1H3
InChIKeyVQYRUYRQXAARJL-UHFFFAOYSA-N
MW186.18 g/mol
LogP0.86
Rot. Bonds3

About 1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol

1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol (PubChem CID 146455332) has the molecular formula C9H11FO3 and a molecular weight of 186.18 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol
PubChem CID146455332
Molecular FormulaC9H11FO3
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol
SMILESCOc1cccc(F)c1C(O)CO
InChIInChI=1S/C9H11FO3/c1-13-8-4-2-3-6(10)9(8)7(12)5-11/h2-4,7,11-12H,5H2,1H3
InChIKeyVQYRUYRQXAARJL-UHFFFAOYSA-N
XLogP0.86
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 104554764
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 63018085
1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol
CID 106674262
3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol
CID 65434086
methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
CID 171210621
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221
2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 114981931
methyl 4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutanoate
CID 171895486
3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 103786462
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol (CID 146455332) is 1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol is COc1cccc(F)c1C(O)CO.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol?
The InChIKey is VQYRUYRQXAARJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3/c1-13-8-4-2-3-6(10)9(8)7(12)5-11/h2-4,7,11-12H,5H2,1H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol?
1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol has a molecular weight of 186.18 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol is sourced from PubChem (CID 146455332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).