2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol

C10H13FO3 — CID 82112362

IUPAC2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol
SMILESCOc1ccc(F)cc1C(CO)CO
InChIInChI=1S/C10H13FO3/c1-14-10-3-2-8(11)4-9(10)7(5-12)6-13/h2-4,7,12-13H,5-6H2,1H3
InChIKeyGGBUZONAGDBSIT-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.90
Rot. Bonds4

About 2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol

2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol (PubChem CID 82112362) has the molecular formula C10H13FO3 and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol
PubChem CID82112362
Molecular FormulaC10H13FO3
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol
SMILESCOc1ccc(F)cc1C(CO)CO
InChIInChI=1S/C10H13FO3/c1-14-10-3-2-8(11)4-9(10)7(5-12)6-13/h2-4,7,12-13H,5-6H2,1H3
InChIKeyGGBUZONAGDBSIT-UHFFFAOYSA-N
XLogP0.90
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852
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2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol
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CID 82781916
3-bromo-1-(5-fluoro-2-methoxyphenyl)propane-1,2-diol
CID 171859876
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 105426240
2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 164892130
3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 61087261
3-[1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]propanenitrile
CID 142550262

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol (CID 82112362) is 2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol is COc1ccc(F)cc1C(CO)CO.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol?
The InChIKey is GGBUZONAGDBSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3/c1-14-10-3-2-8(11)4-9(10)7(5-12)6-13/h2-4,7,12-13H,5-6H2,1H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol?
2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol has a molecular weight of 200.21 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol is sourced from PubChem (CID 82112362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).