2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate

C15H22O5 — CID 78788742

IUPAC2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate
SMILESCCOCCOC(=O)c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C15H22O5/c1-5-18-8-9-19-15(16)12-6-7-13(20-11(2)3)14(10-12)17-4/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyBULOUEQFCWEREL-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.68
Rot. Bonds8

About 2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate

2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate (PubChem CID 78788742) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate
PubChem CID78788742
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate
SMILESCCOCCOC(=O)c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C15H22O5/c1-5-18-8-9-19-15(16)12-6-7-13(20-11(2)3)14(10-12)17-4/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyBULOUEQFCWEREL-UHFFFAOYSA-N
XLogP2.68
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
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

propyl 4-ethoxy-3-methoxybenzoate
CID 78907992
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501147
2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate
CID 130428070
ethyl 3,4-bis(1-methoxyethoxy)benzoate
CID 68655330
propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate
CID 82186234
[2-(4-acetamidoanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501375
(5-chlorothiadiazol-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate
CID 46618378
2-propan-2-yloxyethyl 3-amino-4-methoxybenzoate
CID 61308324
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501118
1-cyanoethyl 3-methoxy-4-propan-2-yloxybenzoate
CID 16501215
propyl 3-methoxy-4-pentoxybenzoate
CID 82186336
ethyl 3-amino-4-(2-ethoxyethoxy)benzoate
CID 61306324

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate?
The IUPAC name of 2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate (CID 78788742) is 2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate.
What is the SMILES notation for 2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate?
The canonical SMILES for 2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate is CCOCCOC(=O)c1ccc(OC(C)C)c(OC)c1.
What is the InChIKey of 2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate?
The InChIKey is BULOUEQFCWEREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-5-18-8-9-19-15(16)12-6-7-13(20-11(2)3)14(10-12)17-4/h6-7,10-11H,5,8-9H2,1-4H3.
What are the key properties of 2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate?
2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate has a molecular weight of 282.34 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate is sourced from PubChem (CID 78788742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).