tert-butyl 2-(3-ethylphenyl)acetate

C14H20O2 — CID 71064752

IUPACtert-butyl 2-(3-ethylphenyl)acetate
SMILESCCc1cccc(CC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H20O2/c1-5-11-7-6-8-12(9-11)10-13(15)16-14(2,3)4/h6-9H,5,10H2,1-4H3
InChIKeyILDTUMFHABMJNF-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.13
Rot. Bonds3

About tert-butyl 2-(3-ethylphenyl)acetate

tert-butyl 2-(3-ethylphenyl)acetate (PubChem CID 71064752) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is tert-butyl 2-(3-ethylphenyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-ethylphenyl)acetate
PubChem CID71064752
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nametert-butyl 2-(3-ethylphenyl)acetate
SMILESCCc1cccc(CC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H20O2/c1-5-11-7-6-8-12(9-11)10-13(15)16-14(2,3)4/h6-9H,5,10H2,1-4H3
InChIKeyILDTUMFHABMJNF-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]boronic acid
CID 68505553
(2S)-2-amino-3-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
CID 168721470
tert-butyl 2-[3-(1-hydroxy-2-phenylethyl)phenyl]acetate
CID 175149415
tert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate
CID 137357211
tert-butyl [(E)-2-(3-ethylphenyl)ethenyl] carbonate
CID 153320452
2-piperidin-1-ium-4-ylpropan-2-yl 2-[3-[2-oxo-2-(2-piperidin-1-ium-4-ylpropan-2-yloxy)ethyl]phenyl]acetate
CID 167314913
2-(3-ethylphenyl)-N-methoxy-N-methylacetamide
CID 87253905
tert-butyl N-(3-ethylphenyl)-N-methylcarbamate
CID 167076497
tert-butyl 2-[3-[(3-chloro-2-formylphenoxy)methyl]phenyl]acetate
CID 167532262
tert-butyl 2-[4-(2-oxoethyl)phenyl]acetate
CID 159057903
methyl 2-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]acetate
CID 169468041
tert-butyl 2-(3-bromo-4-formylphenyl)acetate
CID 159968952

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-ethylphenyl)acetate?
The IUPAC name of tert-butyl 2-(3-ethylphenyl)acetate (CID 71064752) is tert-butyl 2-(3-ethylphenyl)acetate.
What is the SMILES notation for tert-butyl 2-(3-ethylphenyl)acetate?
The canonical SMILES for tert-butyl 2-(3-ethylphenyl)acetate is CCc1cccc(CC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 2-(3-ethylphenyl)acetate?
The InChIKey is ILDTUMFHABMJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-11-7-6-8-12(9-11)10-13(15)16-14(2,3)4/h6-9H,5,10H2,1-4H3.
What are the key properties of tert-butyl 2-(3-ethylphenyl)acetate?
tert-butyl 2-(3-ethylphenyl)acetate has a molecular weight of 220.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-ethylphenyl)acetate is sourced from PubChem (CID 71064752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).