methyl 3-(2-methoxyphenyl)propanoate

C11H14O3 — CID 562482

IUPACmethyl 3-(2-methoxyphenyl)propanoate
SMILESCOC(=O)CCc1ccccc1OC
InChIInChI=1S/C11H14O3/c1-13-10-6-4-3-5-9(10)7-8-11(12)14-2/h3-6H,7-8H2,1-2H3
InChIKeyBJDNTBIPIZYXPN-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.80
Rot. Bonds4

About methyl 3-(2-methoxyphenyl)propanoate

methyl 3-(2-methoxyphenyl)propanoate (PubChem CID 562482) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methoxyphenyl)propanoate
PubChem CID562482
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl 3-(2-methoxyphenyl)propanoate
SMILESCOC(=O)CCc1ccccc1OC
InChIInChI=1S/C11H14O3/c1-13-10-6-4-3-5-9(10)7-8-11(12)14-2/h3-6H,7-8H2,1-2H3
InChIKeyBJDNTBIPIZYXPN-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxyphenyl)propanoate?
The IUPAC name of methyl 3-(2-methoxyphenyl)propanoate (CID 562482) is methyl 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(2-methoxyphenyl)propanoate is COC(=O)CCc1ccccc1OC.
What is the InChIKey of methyl 3-(2-methoxyphenyl)propanoate?
The InChIKey is BJDNTBIPIZYXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-13-10-6-4-3-5-9(10)7-8-11(12)14-2/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 3-(2-methoxyphenyl)propanoate?
methyl 3-(2-methoxyphenyl)propanoate has a molecular weight of 194.23 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 562482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).