propan-2-yl 3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoate

C15H21FO4 — CID 146594836

IUPACpropan-2-yl 3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoate
SMILESCOc1cc(OC(C)(C)CC(=O)OC(C)C)ccc1F
InChIInChI=1S/C15H21FO4/c1-10(2)19-14(17)9-15(3,4)20-11-6-7-12(16)13(8-11)18-5/h6-8,10H,9H2,1-5H3
InChIKeyRXRSDJGXQKKVKP-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.33
Rot. Bonds6

About propan-2-yl 3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoate

propan-2-yl 3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoate (PubChem CID 146594836) has the molecular formula C15H21FO4 and a molecular weight of 284.33 g/mol. Its IUPAC name is propan-2-yl 3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoate
PubChem CID146594836
Molecular FormulaC15H21FO4
Molecular Weight284.33 g/mol
Exact Mass284.14
IUPAC Namepropan-2-yl 3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoate
SMILESCOc1cc(OC(C)(C)CC(=O)OC(C)C)ccc1F
InChIInChI=1S/C15H21FO4/c1-10(2)19-14(17)9-15(3,4)20-11-6-7-12(16)13(8-11)18-5/h6-8,10H,9H2,1-5H3
InChIKeyRXRSDJGXQKKVKP-UHFFFAOYSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoate?
The IUPAC name of propan-2-yl 3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoate (CID 146594836) is propan-2-yl 3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoate.
What is the SMILES notation for propan-2-yl 3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoate?
The canonical SMILES for propan-2-yl 3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoate is COc1cc(OC(C)(C)CC(=O)OC(C)C)ccc1F.
What is the InChIKey of propan-2-yl 3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoate?
The InChIKey is RXRSDJGXQKKVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO4/c1-10(2)19-14(17)9-15(3,4)20-11-6-7-12(16)13(8-11)18-5/h6-8,10H,9H2,1-5H3.
What are the key properties of propan-2-yl 3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoate?
propan-2-yl 3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoate has a molecular weight of 284.33 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoate is sourced from PubChem (CID 146594836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).