2-(4-tert-butyl-2-methylphenyl)ethyl propanoate

C16H24O2 — CID 57130861

IUPAC2-(4-tert-butyl-2-methylphenyl)ethyl propanoate
SMILESCCC(=O)OCCc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C16H24O2/c1-6-15(17)18-10-9-13-7-8-14(11-12(13)2)16(3,4)5/h7-8,11H,6,9-10H2,1-5H3
InChIKeyMYHJKXWWPNVSCC-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.79
Rot. Bonds4

About 2-(4-tert-butyl-2-methylphenyl)ethyl propanoate

2-(4-tert-butyl-2-methylphenyl)ethyl propanoate (PubChem CID 57130861) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenyl)ethyl propanoate.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenyl)ethyl propanoate
PubChem CID57130861
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-(4-tert-butyl-2-methylphenyl)ethyl propanoate
SMILESCCC(=O)OCCc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C16H24O2/c1-6-15(17)18-10-9-13-7-8-14(11-12(13)2)16(3,4)5/h7-8,11H,6,9-10H2,1-5H3
InChIKeyMYHJKXWWPNVSCC-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butyl-2-methylphenyl)butanoic acid
CID 82496433
ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate
CID 140674164
2-(4-tert-butyl-2-methylphenyl)ethylcarbamothioic S-acid
CID 115170312
2-(2,4-dimethylphenyl)ethyl carbamate
CID 123427544
2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide
CID 115152518
2-[2-(bromomethyl)phenyl]ethyl propanoate
CID 174385398
N'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide
CID 115192000
N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140102
O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine
CID 83698395
2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine
CID 115259627
4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide
CID 116846533
N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine
CID 82470206

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenyl)ethyl propanoate?
The IUPAC name of 2-(4-tert-butyl-2-methylphenyl)ethyl propanoate (CID 57130861) is 2-(4-tert-butyl-2-methylphenyl)ethyl propanoate.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenyl)ethyl propanoate?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenyl)ethyl propanoate is CCC(=O)OCCc1ccc(C(C)(C)C)cc1C.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenyl)ethyl propanoate?
The InChIKey is MYHJKXWWPNVSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-6-15(17)18-10-9-13-7-8-14(11-12(13)2)16(3,4)5/h7-8,11H,6,9-10H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-2-methylphenyl)ethyl propanoate?
2-(4-tert-butyl-2-methylphenyl)ethyl propanoate has a molecular weight of 248.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenyl)ethyl propanoate is sourced from PubChem (CID 57130861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).