3-prop-2-enoxypropyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate

C20H30O4 — CID 162515654

IUPAC3-prop-2-enoxypropyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
SMILESC=CCOCCCOC(=O)CCc1cc(C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H30O4/c1-6-10-23-11-7-12-24-18(21)9-8-16-13-15(2)19(22)17(14-16)20(3,4)5/h6,13-14,22H,1,7-12H2,2-5H3
InChIKeyXGUVRIAKWIQLTF-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.07
Rot. Bonds9

About 3-prop-2-enoxypropyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate

3-prop-2-enoxypropyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate (PubChem CID 162515654) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-prop-2-enoxypropyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate.

Molecular Properties

Compound Name3-prop-2-enoxypropyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
PubChem CID162515654
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name3-prop-2-enoxypropyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
SMILESC=CCOCCCOC(=O)CCc1cc(C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H30O4/c1-6-10-23-11-7-12-24-18(21)9-8-16-13-15(2)19(22)17(14-16)20(3,4)5/h6,13-14,22H,1,7-12H2,2-5H3
InChIKeyXGUVRIAKWIQLTF-UHFFFAOYSA-N
XLogP4.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethoxy]propoxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 58260457
2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethene;formaldehyde
CID 158902854
2-[2-[2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;2-[2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethoxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;10-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]decyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159472102
2-[2-[2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;2-[2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethoxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159586009
tetradecyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 118862021
4-methylpentyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 54074371
[3-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]-2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxymethyl]propyl] 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 170132828
2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethyl-trimethylazanium bromide
CID 139775534
2-[2-[7-(3-tert-butyl-4-hydroxy-5-methylphenyl)heptanoyloxy]ethoxy]ethyl octadecanoate
CID 22766610
methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 88503135
3-bromopropyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 172554601
butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methane
CID 160740972

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxypropyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate?
The IUPAC name of 3-prop-2-enoxypropyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate (CID 162515654) is 3-prop-2-enoxypropyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate.
What is the SMILES notation for 3-prop-2-enoxypropyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate?
The canonical SMILES for 3-prop-2-enoxypropyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate is C=CCOCCCOC(=O)CCc1cc(C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 3-prop-2-enoxypropyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate?
The InChIKey is XGUVRIAKWIQLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c1-6-10-23-11-7-12-24-18(21)9-8-16-13-15(2)19(22)17(14-16)20(3,4)5/h6,13-14,22H,1,7-12H2,2-5H3.
What are the key properties of 3-prop-2-enoxypropyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate?
3-prop-2-enoxypropyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate has a molecular weight of 334.46 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxypropyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate is sourced from PubChem (CID 162515654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).