propyl 5-fluoro-2-methoxybenzoate

C11H13FO3 — CID 78846828

IUPACpropyl 5-fluoro-2-methoxybenzoate
SMILESCCCOC(=O)c1cc(F)ccc1OC
InChIInChI=1S/C11H13FO3/c1-3-6-15-11(13)9-7-8(12)4-5-10(9)14-2/h4-5,7H,3,6H2,1-2H3
InChIKeyTUHJOURQQSUKPJ-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.40
Rot. Bonds4

About propyl 5-fluoro-2-methoxybenzoate

propyl 5-fluoro-2-methoxybenzoate (PubChem CID 78846828) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is propyl 5-fluoro-2-methoxybenzoate.

Molecular Properties

Compound Namepropyl 5-fluoro-2-methoxybenzoate
PubChem CID78846828
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Namepropyl 5-fluoro-2-methoxybenzoate
SMILESCCCOC(=O)c1cc(F)ccc1OC
InChIInChI=1S/C11H13FO3/c1-3-6-15-11(13)9-7-8(12)4-5-10(9)14-2/h4-5,7H,3,6H2,1-2H3
InChIKeyTUHJOURQQSUKPJ-UHFFFAOYSA-N
XLogP2.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2,5-difluorobenzoate
CID 43416946
1-(5-fluoro-2-methoxyphenyl)-3-propoxypropan-1-one
CID 105125146
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
(4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate
CID 78837074
2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one
CID 103447173
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
dibutyl 4-fluorobenzene-1,2-dicarboxylate
CID 23502472
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
propyl 2-fluoro-6-methoxybenzoate
CID 65433073
methyl 2-(5-fluoro-2-methoxybenzoyl)butanoate
CID 116923588
nonyl 5-amino-2-methoxybenzoate
CID 63450276
butyl 2-bromo-5-fluorobenzoate
CID 112724264

Frequently Asked Questions

What is the IUPAC name of propyl 5-fluoro-2-methoxybenzoate?
The IUPAC name of propyl 5-fluoro-2-methoxybenzoate (CID 78846828) is propyl 5-fluoro-2-methoxybenzoate.
What is the SMILES notation for propyl 5-fluoro-2-methoxybenzoate?
The canonical SMILES for propyl 5-fluoro-2-methoxybenzoate is CCCOC(=O)c1cc(F)ccc1OC.
What is the InChIKey of propyl 5-fluoro-2-methoxybenzoate?
The InChIKey is TUHJOURQQSUKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-3-6-15-11(13)9-7-8(12)4-5-10(9)14-2/h4-5,7H,3,6H2,1-2H3.
What are the key properties of propyl 5-fluoro-2-methoxybenzoate?
propyl 5-fluoro-2-methoxybenzoate has a molecular weight of 212.22 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-fluoro-2-methoxybenzoate is sourced from PubChem (CID 78846828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).