(2-ethoxyphenyl) 4-ethoxybenzoate

C17H18O4 — CID 176892652

IUPAC(2-ethoxyphenyl) 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccccc2OCC)cc1
InChIInChI=1S/C17H18O4/c1-3-19-14-11-9-13(10-12-14)17(18)21-16-8-6-5-7-15(16)20-4-2/h5-12H,3-4H2,1-2H3
InChIKeyJAJWUWWFUZZRNU-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.70
Rot. Bonds6

About (2-ethoxyphenyl) 4-ethoxybenzoate

(2-ethoxyphenyl) 4-ethoxybenzoate (PubChem CID 176892652) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2-ethoxyphenyl) 4-ethoxybenzoate.

Molecular Properties

Compound Name(2-ethoxyphenyl) 4-ethoxybenzoate
PubChem CID176892652
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(2-ethoxyphenyl) 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccccc2OCC)cc1
InChIInChI=1S/C17H18O4/c1-3-19-14-11-9-13(10-12-14)17(18)21-16-8-6-5-7-15(16)20-4-2/h5-12H,3-4H2,1-2H3
InChIKeyJAJWUWWFUZZRNU-UHFFFAOYSA-N
XLogP3.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-phenylphenyl) 4-ethoxybenzoate
CID 23011325
(2-ethoxyphenyl) 4-propan-2-ylbenzoate
CID 1406532
[2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate
CID 89316191
(2-ethoxyphenyl) 3,4-dichlorobenzoate
CID 733877
(2-ethoxyphenyl) 3-methoxybenzoate
CID 19184767
[4-[3-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-ethoxybenzoate
CID 143295267
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
(4-ethoxyphenyl) 4-carboxyoxybenzoate
CID 68508169
(5-ethyl-2-methylphenyl) 4-ethoxybenzoate
CID 836922
ethyl 2-(4-propoxybenzoyl)oxybenzoate
CID 23011682
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
CID 17160880
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate
CID 58003994

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl) 4-ethoxybenzoate?
The IUPAC name of (2-ethoxyphenyl) 4-ethoxybenzoate (CID 176892652) is (2-ethoxyphenyl) 4-ethoxybenzoate.
What is the SMILES notation for (2-ethoxyphenyl) 4-ethoxybenzoate?
The canonical SMILES for (2-ethoxyphenyl) 4-ethoxybenzoate is CCOc1ccc(C(=O)Oc2ccccc2OCC)cc1.
What is the InChIKey of (2-ethoxyphenyl) 4-ethoxybenzoate?
The InChIKey is JAJWUWWFUZZRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-3-19-14-11-9-13(10-12-14)17(18)21-16-8-6-5-7-15(16)20-4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of (2-ethoxyphenyl) 4-ethoxybenzoate?
(2-ethoxyphenyl) 4-ethoxybenzoate has a molecular weight of 286.33 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl) 4-ethoxybenzoate is sourced from PubChem (CID 176892652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).