propyl 3-(methoxymethyl)benzoate

C12H16O3 — CID 78846700

IUPACpropyl 3-(methoxymethyl)benzoate
SMILESCCCOC(=O)c1cccc(COC)c1
InChIInChI=1S/C12H16O3/c1-3-7-15-12(13)11-6-4-5-10(8-11)9-14-2/h4-6,8H,3,7,9H2,1-2H3
InChIKeyGZTZWFHQEFREJD-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.40
Rot. Bonds5

About propyl 3-(methoxymethyl)benzoate

propyl 3-(methoxymethyl)benzoate (PubChem CID 78846700) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is propyl 3-(methoxymethyl)benzoate.

Molecular Properties

Compound Namepropyl 3-(methoxymethyl)benzoate
PubChem CID78846700
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namepropyl 3-(methoxymethyl)benzoate
SMILESCCCOC(=O)c1cccc(COC)c1
InChIInChI=1S/C12H16O3/c1-3-7-15-12(13)11-6-4-5-10(8-11)9-14-2/h4-6,8H,3,7,9H2,1-2H3
InChIKeyGZTZWFHQEFREJD-UHFFFAOYSA-N
XLogP2.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 3-(methoxymethyl)benzoate?
The IUPAC name of propyl 3-(methoxymethyl)benzoate (CID 78846700) is propyl 3-(methoxymethyl)benzoate.
What is the SMILES notation for propyl 3-(methoxymethyl)benzoate?
The canonical SMILES for propyl 3-(methoxymethyl)benzoate is CCCOC(=O)c1cccc(COC)c1.
What is the InChIKey of propyl 3-(methoxymethyl)benzoate?
The InChIKey is GZTZWFHQEFREJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-7-15-12(13)11-6-4-5-10(8-11)9-14-2/h4-6,8H,3,7,9H2,1-2H3.
What are the key properties of propyl 3-(methoxymethyl)benzoate?
propyl 3-(methoxymethyl)benzoate has a molecular weight of 208.26 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(methoxymethyl)benzoate is sourced from PubChem (CID 78846700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).