(3-ethoxy-2-propanoyloxyphenyl) propanoate

C14H18O5 — CID 90031987

IUPAC(3-ethoxy-2-propanoyloxyphenyl) propanoate
SMILESCCOc1cccc(OC(=O)CC)c1OC(=O)CC
InChIInChI=1S/C14H18O5/c1-4-12(15)18-11-9-7-8-10(17-6-3)14(11)19-13(16)5-2/h7-9H,4-6H2,1-3H3
InChIKeyDLGWRLDVYTVIGO-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.72
Rot. Bonds6

About (3-ethoxy-2-propanoyloxyphenyl) propanoate

(3-ethoxy-2-propanoyloxyphenyl) propanoate (PubChem CID 90031987) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is (3-ethoxy-2-propanoyloxyphenyl) propanoate.

Molecular Properties

Compound Name(3-ethoxy-2-propanoyloxyphenyl) propanoate
PubChem CID90031987
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name(3-ethoxy-2-propanoyloxyphenyl) propanoate
SMILESCCOc1cccc(OC(=O)CC)c1OC(=O)CC
InChIInChI=1S/C14H18O5/c1-4-12(15)18-11-9-7-8-10(17-6-3)14(11)19-13(16)5-2/h7-9H,4-6H2,1-3H3
InChIKeyDLGWRLDVYTVIGO-UHFFFAOYSA-N
XLogP2.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-ethoxy-2-propanoyloxyphenyl) propanoate;(3-methoxy-2-propanoyloxyphenyl) propanoate
CID 90032322
(3-nonoxy-2-propanoyloxyphenyl) propanoate
CID 90024592
[2-propanoyloxy-3-(4-propan-2-yloxybutoxy)phenyl] propanoate
CID 150642237
(2,3-diethoxyphenyl) acetate
CID 19833387
[2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate
CID 67735914
(2-pentanoyloxy-3-pentoxyphenyl) pentanoate
CID 90032453
(2-butanoyloxy-3-methoxyphenyl) butanoate
CID 140675737
(2-ethoxy-6-formylphenyl) 3-chloropropanoate
CID 87707275
(2-hexoxy-6-hydroxyphenyl) propanoate
CID 91538458
(3-octyl-2-propanoyloxyphenyl) propanoate
CID 90024469
(2-heptanoyloxy-3-octoxyphenyl) heptanoate
CID 90024985
[2-ethoxy-6-[4-(3-methylsulfonyloxyphenyl)butoxy]phenyl] propanoate
CID 57006249

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-2-propanoyloxyphenyl) propanoate?
The IUPAC name of (3-ethoxy-2-propanoyloxyphenyl) propanoate (CID 90031987) is (3-ethoxy-2-propanoyloxyphenyl) propanoate.
What is the SMILES notation for (3-ethoxy-2-propanoyloxyphenyl) propanoate?
The canonical SMILES for (3-ethoxy-2-propanoyloxyphenyl) propanoate is CCOc1cccc(OC(=O)CC)c1OC(=O)CC.
What is the InChIKey of (3-ethoxy-2-propanoyloxyphenyl) propanoate?
The InChIKey is DLGWRLDVYTVIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-4-12(15)18-11-9-7-8-10(17-6-3)14(11)19-13(16)5-2/h7-9H,4-6H2,1-3H3.
What are the key properties of (3-ethoxy-2-propanoyloxyphenyl) propanoate?
(3-ethoxy-2-propanoyloxyphenyl) propanoate has a molecular weight of 266.29 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-2-propanoyloxyphenyl) propanoate is sourced from PubChem (CID 90031987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).