ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate

C15H22O5 — CID 121423908

IUPACethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
SMILESCCCOc1cc(C(=O)OCC)ccc1OCCOC
InChIInChI=1S/C15H22O5/c1-4-8-19-14-11-12(15(16)18-5-2)6-7-13(14)20-10-9-17-3/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyGUPYFPPMRUYUFG-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.68
Rot. Bonds9

About ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate

ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate (PubChem CID 121423908) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
PubChem CID121423908
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Nameethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
SMILESCCCOc1cc(C(=O)OCC)ccc1OCCOC
InChIInChI=1S/C15H22O5/c1-4-8-19-14-11-12(15(16)18-5-2)6-7-13(14)20-10-9-17-3/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyGUPYFPPMRUYUFG-UHFFFAOYSA-N
XLogP2.68
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-bromo-4-(2-methoxyethoxy)benzoate
CID 11839084
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 3,4-bis(3-hydroxypropoxy)benzoate
CID 66647401
1-bromopentane;bis(ethyl 3,4-dihydroxybenzoate);ethyl 3-hydroxy-4-pentoxybenzoate;ethyl 3-hydroxy-4-propoxybenzoate;ethyl 3-(2-methoxyethoxy)-4-pentoxybenzoate;ethyl 3-(2-methoxyethoxy)-4-propoxybenzoate;methane;propane
CID 160769209
propyl 4-ethoxy-3-methoxybenzoate
CID 78907992
2-(3,4-dipropoxybenzoyl)oxyethyl-dimethylazanium chloride
CID 18526676
[2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate
CID 8537066
propan-2-yl 3,4-dipropoxybenzoate
CID 82550237
propyl 3-methoxy-4-pentoxybenzoate
CID 82186336
ethyl 3-amino-4-(2-ethoxyethoxy)benzoate
CID 61306324
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
6-methoxyhexyl 3-methoxy-4-pentoxybenzoate
CID 90138665

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate?
The IUPAC name of ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate (CID 121423908) is ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate.
What is the SMILES notation for ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate?
The canonical SMILES for ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate is CCCOc1cc(C(=O)OCC)ccc1OCCOC.
What is the InChIKey of ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate?
The InChIKey is GUPYFPPMRUYUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-4-8-19-14-11-12(15(16)18-5-2)6-7-13(14)20-10-9-17-3/h6-7,11H,4-5,8-10H2,1-3H3.
What are the key properties of ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate?
ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate has a molecular weight of 282.34 g/mol, XLogP of 2.68, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate is sourced from PubChem (CID 121423908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).