[2-hydroxy-3-(2-methylphenoxy)propyl] 2-(4-fluorophenoxy)acetate

C18H19FO5 — CID 28732

IUPAC[2-hydroxy-3-(2-methylphenoxy)propyl] 2-(4-fluorophenoxy)acetate
SMILESCc1ccccc1OCC(O)COC(=O)COc1ccc(F)cc1
InChIInChI=1S/C18H19FO5/c1-13-4-2-3-5-17(13)23-10-15(20)11-24-18(21)12-22-16-8-6-14(19)7-9-16/h2-9,15,20H,10-12H2,1H3
InChIKeyQTNBBHNCRGDBQA-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.50
Rot. Bonds8

About [2-hydroxy-3-(2-methylphenoxy)propyl] 2-(4-fluorophenoxy)acetate

[2-hydroxy-3-(2-methylphenoxy)propyl] 2-(4-fluorophenoxy)acetate (PubChem CID 28732) has the molecular formula C18H19FO5 and a molecular weight of 334.34 g/mol. Its IUPAC name is [2-hydroxy-3-(2-methylphenoxy)propyl] 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-hydroxy-3-(2-methylphenoxy)propyl] 2-(4-fluorophenoxy)acetate
PubChem CID28732
Molecular FormulaC18H19FO5
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name[2-hydroxy-3-(2-methylphenoxy)propyl] 2-(4-fluorophenoxy)acetate
SMILESCc1ccccc1OCC(O)COC(=O)COc1ccc(F)cc1
InChIInChI=1S/C18H19FO5/c1-13-4-2-3-5-17(13)23-10-15(20)11-24-18(21)12-22-16-8-6-14(19)7-9-16/h2-9,15,20H,10-12H2,1H3
InChIKeyQTNBBHNCRGDBQA-UHFFFAOYSA-N
XLogP2.50
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2-methylphenoxy)propyl] 2-(4-fluorophenoxy)acetate?
The IUPAC name of [2-hydroxy-3-(2-methylphenoxy)propyl] 2-(4-fluorophenoxy)acetate (CID 28732) is [2-hydroxy-3-(2-methylphenoxy)propyl] 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for [2-hydroxy-3-(2-methylphenoxy)propyl] 2-(4-fluorophenoxy)acetate?
The canonical SMILES for [2-hydroxy-3-(2-methylphenoxy)propyl] 2-(4-fluorophenoxy)acetate is Cc1ccccc1OCC(O)COC(=O)COc1ccc(F)cc1.
What is the InChIKey of [2-hydroxy-3-(2-methylphenoxy)propyl] 2-(4-fluorophenoxy)acetate?
The InChIKey is QTNBBHNCRGDBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO5/c1-13-4-2-3-5-17(13)23-10-15(20)11-24-18(21)12-22-16-8-6-14(19)7-9-16/h2-9,15,20H,10-12H2,1H3.
What are the key properties of [2-hydroxy-3-(2-methylphenoxy)propyl] 2-(4-fluorophenoxy)acetate?
[2-hydroxy-3-(2-methylphenoxy)propyl] 2-(4-fluorophenoxy)acetate has a molecular weight of 334.34 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2-methylphenoxy)propyl] 2-(4-fluorophenoxy)acetate is sourced from PubChem (CID 28732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).