(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate

C19H22O4 — CID 176892707

IUPAC(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)Oc1ccccc1OCC
InChIInChI=1S/C19H22O4/c1-3-21-16-10-6-5-9-15(16)13-14-19(20)23-18-12-8-7-11-17(18)22-4-2/h5-12H,3-4,13-14H2,1-2H3
InChIKeyGAFHURPWIJAROX-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.02
Rot. Bonds8

About (2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate

(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate (PubChem CID 176892707) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate.

Molecular Properties

Compound Name(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
PubChem CID176892707
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)Oc1ccccc1OCC
InChIInChI=1S/C19H22O4/c1-3-21-16-10-6-5-9-15(16)13-14-19(20)23-18-12-8-7-11-17(18)22-4-2/h5-12H,3-4,13-14H2,1-2H3
InChIKeyGAFHURPWIJAROX-UHFFFAOYSA-N
XLogP4.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.02
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-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
CID 7523952
butyl 3-(2-ethoxyphenyl)propanoate
CID 113221188
(2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221084
ethyl 5-(2-ethoxyphenyl)pentanoate
CID 118039876
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
CID 43406380
(1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate
CID 7524606
2-(2-ethoxyphenyl)ethyl propanoate
CID 174910782
ethyl 3-[2-(methoxymethoxy)phenyl]propanoate
CID 102097984
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384492
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648612
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384493
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029751

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate?
The IUPAC name of (2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate (CID 176892707) is (2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate.
What is the SMILES notation for (2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate?
The canonical SMILES for (2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate is CCOc1ccccc1CCC(=O)Oc1ccccc1OCC.
What is the InChIKey of (2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate?
The InChIKey is GAFHURPWIJAROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-3-21-16-10-6-5-9-15(16)13-14-19(20)23-18-12-8-7-11-17(18)22-4-2/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of (2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate?
(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate has a molecular weight of 314.38 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate is sourced from PubChem (CID 176892707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).