2-propan-2-yloxyethyl 4-ethoxybenzoate

C14H20O4 — CID 78790018

IUPAC2-propan-2-yloxyethyl 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCCOC(C)C)cc1
InChIInChI=1S/C14H20O4/c1-4-16-13-7-5-12(6-8-13)14(15)18-10-9-17-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyRYLAUKZDFQZXRE-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.67
Rot. Bonds7

About 2-propan-2-yloxyethyl 4-ethoxybenzoate

2-propan-2-yloxyethyl 4-ethoxybenzoate (PubChem CID 78790018) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 4-ethoxybenzoate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 4-ethoxybenzoate
PubChem CID78790018
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-propan-2-yloxyethyl 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCCOC(C)C)cc1
InChIInChI=1S/C14H20O4/c1-4-16-13-7-5-12(6-8-13)14(15)18-10-9-17-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyRYLAUKZDFQZXRE-UHFFFAOYSA-N
XLogP2.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yloxyethyl 4-hydroxybenzoate
CID 71749586
[4-[2-[2-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyethoxy]ethoxycarbonyl]phenyl] 4-ethoxybenzoate
CID 101052638
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
CID 17160880
2-phenoxyethyl 4-propan-2-yloxybenzoate
CID 23011936
3-pyridin-4-ylpropyl 4-ethoxybenzoate
CID 134050749
butyl 4-(2-methylpropoxy)benzoate
CID 82186422
propyl 4-butoxybenzoate
CID 43389566
ethyl 4-(2-ethylbutoxy)benzoate
CID 82926863
[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 18272291
[2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate
CID 2521893
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 2645754
[(E)-but-2-enyl] 4-ethoxybenzoate
CID 78830423

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 4-ethoxybenzoate?
The IUPAC name of 2-propan-2-yloxyethyl 4-ethoxybenzoate (CID 78790018) is 2-propan-2-yloxyethyl 4-ethoxybenzoate.
What is the SMILES notation for 2-propan-2-yloxyethyl 4-ethoxybenzoate?
The canonical SMILES for 2-propan-2-yloxyethyl 4-ethoxybenzoate is CCOc1ccc(C(=O)OCCOC(C)C)cc1.
What is the InChIKey of 2-propan-2-yloxyethyl 4-ethoxybenzoate?
The InChIKey is RYLAUKZDFQZXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-16-13-7-5-12(6-8-13)14(15)18-10-9-17-11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 2-propan-2-yloxyethyl 4-ethoxybenzoate?
2-propan-2-yloxyethyl 4-ethoxybenzoate has a molecular weight of 252.31 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 4-ethoxybenzoate is sourced from PubChem (CID 78790018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).