1-propanoyloxyethyl 2-(3-ethylphenyl)propanoate

C16H22O4 — CID 89334043

IUPAC1-propanoyloxyethyl 2-(3-ethylphenyl)propanoate
SMILESCCC(=O)OC(C)OC(=O)C(C)c1cccc(CC)c1
InChIInChI=1S/C16H22O4/c1-5-13-8-7-9-14(10-13)11(3)16(18)20-12(4)19-15(17)6-2/h7-12H,5-6H2,1-4H3
InChIKeyIMHJPWWFVLPVAN-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.19
Rot. Bonds6

About 1-propanoyloxyethyl 2-(3-ethylphenyl)propanoate

1-propanoyloxyethyl 2-(3-ethylphenyl)propanoate (PubChem CID 89334043) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-propanoyloxyethyl 2-(3-ethylphenyl)propanoate.

Molecular Properties

Compound Name1-propanoyloxyethyl 2-(3-ethylphenyl)propanoate
PubChem CID89334043
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name1-propanoyloxyethyl 2-(3-ethylphenyl)propanoate
SMILESCCC(=O)OC(C)OC(=O)C(C)c1cccc(CC)c1
InChIInChI=1S/C16H22O4/c1-5-13-8-7-9-14(10-13)11(3)16(18)20-12(4)19-15(17)6-2/h7-12H,5-6H2,1-4H3
InChIKeyIMHJPWWFVLPVAN-UHFFFAOYSA-N
XLogP3.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-acetyloxyethyl 2-(3-prop-2-enylphenyl)propanoate
CID 58973689
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
1-butan-2-yl-3-ethylbenzene
CID 528681
2-[3-(3-ethylphenyl)phenyl]propanoic acid
CID 176514342
methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate
CID 124604133
[3-[2-[3-(hydroxymethyl)phenyl]propanoyloxy]-2-[2-[3-(hydroxymethyl)phenyl]propanoyloxymethyl]-2-methylpropyl] 2-[3-(hydroxymethyl)phenyl]propanoate
CID 58152767
bis(3-ethylphenyl)methyl prop-2-enoate
CID 134554193
methyl 2-(3-ethylphenyl)pentanoate
CID 142878372
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
2-ethyl-1-(3-ethylphenyl)butan-1-amine
CID 105018813
2-(3-ethylphenyl)-4-methylpentan-1-amine
CID 166737218
(2S)-2-[3-(2-methylpropyl)phenyl]propanamide
CID 124743513

Frequently Asked Questions

What is the IUPAC name of 1-propanoyloxyethyl 2-(3-ethylphenyl)propanoate?
The IUPAC name of 1-propanoyloxyethyl 2-(3-ethylphenyl)propanoate (CID 89334043) is 1-propanoyloxyethyl 2-(3-ethylphenyl)propanoate.
What is the SMILES notation for 1-propanoyloxyethyl 2-(3-ethylphenyl)propanoate?
The canonical SMILES for 1-propanoyloxyethyl 2-(3-ethylphenyl)propanoate is CCC(=O)OC(C)OC(=O)C(C)c1cccc(CC)c1.
What is the InChIKey of 1-propanoyloxyethyl 2-(3-ethylphenyl)propanoate?
The InChIKey is IMHJPWWFVLPVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-5-13-8-7-9-14(10-13)11(3)16(18)20-12(4)19-15(17)6-2/h7-12H,5-6H2,1-4H3.
What are the key properties of 1-propanoyloxyethyl 2-(3-ethylphenyl)propanoate?
1-propanoyloxyethyl 2-(3-ethylphenyl)propanoate has a molecular weight of 278.35 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyloxyethyl 2-(3-ethylphenyl)propanoate is sourced from PubChem (CID 89334043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).