2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate

C18H28O4 — CID 21199855

IUPAC2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate
SMILESCCc1cc(CCC(=O)OCCO)cc(C(C)(C)C)c1OC
InChIInChI=1S/C18H28O4/c1-6-14-11-13(7-8-16(20)22-10-9-19)12-15(17(14)21-5)18(2,3)4/h11-12,19H,6-10H2,1-5H3
InChIKeyWVIAGQQAIZFGSN-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.02
Rot. Bonds7

About 2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate

2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate (PubChem CID 21199855) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate
PubChem CID21199855
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate
SMILESCCc1cc(CCC(=O)OCCO)cc(C(C)(C)C)c1OC
InChIInChI=1S/C18H28O4/c1-6-14-11-13(7-8-16(20)22-10-9-19)12-15(17(14)21-5)18(2,3)4/h11-12,19H,6-10H2,1-5H3
InChIKeyWVIAGQQAIZFGSN-UHFFFAOYSA-N
XLogP3.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 21199201
3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol
CID 117379902
pentadecyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate
CID 118862212
3-[dimethoxy(methyl)silyl]propyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate
CID 155766031
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
butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methane
CID 160740972
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159165409
2-hydroxyethyl 3-(3-tert-butyl-2-ethoxyphenyl)propanoate
CID 21199280
propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 56929908
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane
CID 175291494
methane;2-sulfanylethyl 3-(3,5-ditert-butyl-4-methylphenyl)propanoate
CID 159740767
2-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethoxy]propoxy]ethyl 3-(3-ethyl-4-hydroxy-5-propan-2-ylphenyl)propanoate
CID 58500719

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate?
The IUPAC name of 2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate (CID 21199855) is 2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate.
What is the SMILES notation for 2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate?
The canonical SMILES for 2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate is CCc1cc(CCC(=O)OCCO)cc(C(C)(C)C)c1OC.
What is the InChIKey of 2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate?
The InChIKey is WVIAGQQAIZFGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c1-6-14-11-13(7-8-16(20)22-10-9-19)12-15(17(14)21-5)18(2,3)4/h11-12,19H,6-10H2,1-5H3.
What are the key properties of 2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate?
2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate has a molecular weight of 308.42 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate is sourced from PubChem (CID 21199855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).