(4-ethyl-2-propanoyloxyphenyl) propanoate

C14H18O4 — CID 90024003

IUPAC(4-ethyl-2-propanoyloxyphenyl) propanoate
SMILESCCC(=O)Oc1ccc(CC)cc1OC(=O)CC
InChIInChI=1S/C14H18O4/c1-4-10-7-8-11(17-13(15)5-2)12(9-10)18-14(16)6-3/h7-9H,4-6H2,1-3H3
InChIKeyLLCFFUYLPGYSKO-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.88
Rot. Bonds5

About (4-ethyl-2-propanoyloxyphenyl) propanoate

(4-ethyl-2-propanoyloxyphenyl) propanoate (PubChem CID 90024003) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (4-ethyl-2-propanoyloxyphenyl) propanoate.

Molecular Properties

Compound Name(4-ethyl-2-propanoyloxyphenyl) propanoate
PubChem CID90024003
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(4-ethyl-2-propanoyloxyphenyl) propanoate
SMILESCCC(=O)Oc1ccc(CC)cc1OC(=O)CC
InChIInChI=1S/C14H18O4/c1-4-10-7-8-11(17-13(15)5-2)12(9-10)18-14(16)6-3/h7-9H,4-6H2,1-3H3
InChIKeyLLCFFUYLPGYSKO-UHFFFAOYSA-N
XLogP2.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.88
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

[4-(bromomethyl)-2-propanoyloxyphenyl] propanoate
CID 22615901
[4-ethyl-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate
CID 18510202
(4-ethyl-2-nonanoyloxyphenyl) nonanoate
CID 140675670
[4-[(2S)-2,3-diamino-3-oxopropyl]-2-propanoyloxyphenyl] propanoate
CID 24759853
[4-(2,3-diamino-3-oxopropyl)-2-propanoyloxyphenyl] propanoate
CID 76723253
[4-[2-(carbamoylamino)ethyl]-2-propanoyloxyphenyl] propanoate
CID 68919389
[4-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-oxoethyl]-2-propanoyloxyphenyl] propanoate
CID 91752056
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709
(4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate
CID 176892680
(5-ethyl-2-methoxyphenyl) cyclopropanecarboxylate
CID 175074600
[2,5-bis(bromomethyl)phenyl] propanoate
CID 134898063
[(3S)-3-[(2S)-2-amino-3-[3,4-di(propanoyloxy)phenyl]propanoyl]oxybutan-2-yl] 2-methylbutanoate
CID 66948102

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-propanoyloxyphenyl) propanoate?
The IUPAC name of (4-ethyl-2-propanoyloxyphenyl) propanoate (CID 90024003) is (4-ethyl-2-propanoyloxyphenyl) propanoate.
What is the SMILES notation for (4-ethyl-2-propanoyloxyphenyl) propanoate?
The canonical SMILES for (4-ethyl-2-propanoyloxyphenyl) propanoate is CCC(=O)Oc1ccc(CC)cc1OC(=O)CC.
What is the InChIKey of (4-ethyl-2-propanoyloxyphenyl) propanoate?
The InChIKey is LLCFFUYLPGYSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-4-10-7-8-11(17-13(15)5-2)12(9-10)18-14(16)6-3/h7-9H,4-6H2,1-3H3.
What are the key properties of (4-ethyl-2-propanoyloxyphenyl) propanoate?
(4-ethyl-2-propanoyloxyphenyl) propanoate has a molecular weight of 250.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-propanoyloxyphenyl) propanoate is sourced from PubChem (CID 90024003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).