ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane

C19H33O3P — CID 175291494

IUPACethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane
SMILESCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.P
InChIInChI=1S/C19H30O3.H3P/c1-8-22-16(20)10-9-13-11-14(18(2,3)4)17(21)15(12-13)19(5,6)7;/h11-12,21H,8-10H2,1-7H3;1H3
InChIKeyJTIJTHHJVGXZJB-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.54
Rot. Bonds4

About ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane

ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane (PubChem CID 175291494) has the molecular formula C19H33O3P and a molecular weight of 340.44 g/mol. Its IUPAC name is ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane.

Molecular Properties

Compound Nameethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane
PubChem CID175291494
Molecular FormulaC19H33O3P
Molecular Weight340.44 g/mol
Exact Mass340.22
IUPAC Nameethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane
SMILESCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.P
InChIInChI=1S/C19H30O3.H3P/c1-8-22-16(20)10-9-13-11-14(18(2,3)4)17(21)15(12-13)19(5,6)7;/h11-12,21H,8-10H2,1-7H3;1H3
InChIKeyJTIJTHHJVGXZJB-UHFFFAOYSA-N
XLogP4.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159165409
[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methane
CID 161430473
butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methane
CID 160740972
[2-(dimethylamino)-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 7690237
bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl] oxalate
CID 175496216
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 129256624
methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 88503135
2,6-ditert-butyl-4-methylphenol;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 88606677
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-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl-trimethylazanium iodide
CID 12988676
3-bromopropyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 172554601
[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]-3-[3-(4-hydroxyphenyl)propanoyloxy]-2-[3-(4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(4-hydroxyphenyl)propanoate
CID 140565721

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane?
The IUPAC name of ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane (CID 175291494) is ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane.
What is the SMILES notation for ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane?
The canonical SMILES for ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane is CCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.P.
What is the InChIKey of ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane?
The InChIKey is JTIJTHHJVGXZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3.H3P/c1-8-22-16(20)10-9-13-11-14(18(2,3)4)17(21)15(12-13)19(5,6)7;/h11-12,21H,8-10H2,1-7H3;1H3.
What are the key properties of ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane?
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane has a molecular weight of 340.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane is sourced from PubChem (CID 175291494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).