ethyl 3-[2-(methoxymethoxy)phenyl]propanoate

C13H18O4 — CID 102097984

IUPACethyl 3-[2-(methoxymethoxy)phenyl]propanoate
SMILESCCOC(=O)CCc1ccccc1OCOC
InChIInChI=1S/C13H18O4/c1-3-16-13(14)9-8-11-6-4-5-7-12(11)17-10-15-2/h4-7H,3,8-10H2,1-2H3
InChIKeyKXOWRHYADAXKKW-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.16
Rot. Bonds7

About ethyl 3-[2-(methoxymethoxy)phenyl]propanoate

ethyl 3-[2-(methoxymethoxy)phenyl]propanoate (PubChem CID 102097984) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is ethyl 3-[2-(methoxymethoxy)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(methoxymethoxy)phenyl]propanoate
PubChem CID102097984
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Nameethyl 3-[2-(methoxymethoxy)phenyl]propanoate
SMILESCCOC(=O)CCc1ccccc1OCOC
InChIInChI=1S/C13H18O4/c1-3-16-13(14)9-8-11-6-4-5-7-12(11)17-10-15-2/h4-7H,3,8-10H2,1-2H3
InChIKeyKXOWRHYADAXKKW-UHFFFAOYSA-N
XLogP2.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
CID 7523952
ethyl 5-(2-ethoxyphenyl)pentanoate
CID 118039876
ethyl 3-(3-methoxy-2-methylphenyl)propanoate
CID 68850412
butyl 3-(2-ethoxyphenyl)propanoate
CID 113221188
ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate
CID 139988094
(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
CID 176892707
(1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate
CID 7524606
2-(2-ethoxyphenyl)ethyl propanoate
CID 174910782
ethyl 3-[2-(2-hydroxyphenyl)phenyl]propanoate
CID 67626781
ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate
CID 146676304
ethyl 5-(2-methoxyphenyl)pentanoate;5-(2-methoxyphenyl)pentanoic acid
CID 161019500
[2-(methoxymethoxy)phenyl]methanol
CID 10920904

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(methoxymethoxy)phenyl]propanoate?
The IUPAC name of ethyl 3-[2-(methoxymethoxy)phenyl]propanoate (CID 102097984) is ethyl 3-[2-(methoxymethoxy)phenyl]propanoate.
What is the SMILES notation for ethyl 3-[2-(methoxymethoxy)phenyl]propanoate?
The canonical SMILES for ethyl 3-[2-(methoxymethoxy)phenyl]propanoate is CCOC(=O)CCc1ccccc1OCOC.
What is the InChIKey of ethyl 3-[2-(methoxymethoxy)phenyl]propanoate?
The InChIKey is KXOWRHYADAXKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-3-16-13(14)9-8-11-6-4-5-7-12(11)17-10-15-2/h4-7H,3,8-10H2,1-2H3.
What are the key properties of ethyl 3-[2-(methoxymethoxy)phenyl]propanoate?
ethyl 3-[2-(methoxymethoxy)phenyl]propanoate has a molecular weight of 238.28 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(methoxymethoxy)phenyl]propanoate is sourced from PubChem (CID 102097984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).