ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate

C18H26O4 — CID 140674164

IUPACethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(C(C)(C)C)cc1CC(=O)OCC
InChIInChI=1S/C18H26O4/c1-6-21-16(19)11-13-8-9-15(18(3,4)5)10-14(13)12-17(20)22-7-2/h8-10H,6-7,11-12H2,1-5H3
InChIKeyWFRFAPLDOGGMOY-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.20
Rot. Bonds6

About ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate

ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate (PubChem CID 140674164) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate
PubChem CID140674164
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Nameethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(C(C)(C)C)cc1CC(=O)OCC
InChIInChI=1S/C18H26O4/c1-6-21-16(19)11-13-8-9-15(18(3,4)5)10-14(13)12-17(20)22-7-2/h8-10H,6-7,11-12H2,1-5H3
InChIKeyWFRFAPLDOGGMOY-UHFFFAOYSA-N
XLogP3.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate
CID 82553794
ethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate
CID 175409961
ethyl 2-[2-(aminomethyl)-4-[3-(4-hydroxy-3-methylphenyl)pentan-3-yl]phenyl]acetate
CID 174546939
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
methyl 2-(5-tert-butyl-2-methylphenyl)acetate
CID 82127657
ethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate
CID 140674159
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
2-(4-tert-butyl-2-methylphenyl)ethyl propanoate
CID 57130861
ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999189
ethyl 2-amino-2-(4-tert-butylphenyl)propanoate
CID 3918819
ethyl 2-(2,3-dichloro-4-hydroxyphenyl)acetate
CID 171030250
ethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate
CID 88557090

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate?
The IUPAC name of ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate (CID 140674164) is ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate is CCOC(=O)Cc1ccc(C(C)(C)C)cc1CC(=O)OCC.
What is the InChIKey of ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate?
The InChIKey is WFRFAPLDOGGMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-6-21-16(19)11-13-8-9-15(18(3,4)5)10-14(13)12-17(20)22-7-2/h8-10H,6-7,11-12H2,1-5H3.
What are the key properties of ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate?
ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate has a molecular weight of 306.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate is sourced from PubChem (CID 140674164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).