ethyl 2-(2,3,5,6-tetramethylphenyl)acetate

C14H20O2 — CID 82552065

IUPACethyl 2-(2,3,5,6-tetramethylphenyl)acetate
SMILESCCOC(=O)Cc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C14H20O2/c1-6-16-14(15)8-13-11(4)9(2)7-10(3)12(13)5/h7H,6,8H2,1-5H3
InChIKeyYXSALUWIVBMKMF-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.03
Rot. Bonds3

About ethyl 2-(2,3,5,6-tetramethylphenyl)acetate

ethyl 2-(2,3,5,6-tetramethylphenyl)acetate (PubChem CID 82552065) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is ethyl 2-(2,3,5,6-tetramethylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3,5,6-tetramethylphenyl)acetate
PubChem CID82552065
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nameethyl 2-(2,3,5,6-tetramethylphenyl)acetate
SMILESCCOC(=O)Cc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C14H20O2/c1-6-16-14(15)8-13-11(4)9(2)7-10(3)12(13)5/h7H,6,8H2,1-5H3
InChIKeyYXSALUWIVBMKMF-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate
CID 82551011
ethyl 2-(2,4,6-trihydroxyphenyl)acetate
CID 96710196
ethyl 2-[3-(chloromethyl)-2,6-dimethylphenyl]acetate
CID 171019746
ethyl 2-(4-amino-2-bromo-6-methylphenyl)acetate
CID 171020589
ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate
CID 171021330
ethyl 2-[5-(chloromethyl)-2,3-dimethylphenyl]acetate
CID 171019006
ethyl 4-oxo-4-(2,3,5,6-tetramethylphenyl)butanoate
CID 24727732
ethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate
CID 54026000
ethyl 2-[4-bromo-2-(bromomethyl)-6-methylphenyl]acetate
CID 171006790
ethyl 2-[4,5-bis(2-ethoxy-2-oxoethyl)furan-3-yl]acetate
CID 100954074
ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814
ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate
CID 82553188

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3,5,6-tetramethylphenyl)acetate?
The IUPAC name of ethyl 2-(2,3,5,6-tetramethylphenyl)acetate (CID 82552065) is ethyl 2-(2,3,5,6-tetramethylphenyl)acetate.
What is the SMILES notation for ethyl 2-(2,3,5,6-tetramethylphenyl)acetate?
The canonical SMILES for ethyl 2-(2,3,5,6-tetramethylphenyl)acetate is CCOC(=O)Cc1c(C)c(C)cc(C)c1C.
What is the InChIKey of ethyl 2-(2,3,5,6-tetramethylphenyl)acetate?
The InChIKey is YXSALUWIVBMKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-6-16-14(15)8-13-11(4)9(2)7-10(3)12(13)5/h7H,6,8H2,1-5H3.
What are the key properties of ethyl 2-(2,3,5,6-tetramethylphenyl)acetate?
ethyl 2-(2,3,5,6-tetramethylphenyl)acetate has a molecular weight of 220.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3,5,6-tetramethylphenyl)acetate is sourced from PubChem (CID 82552065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).