benzene;ethyl 2-ethoxyacetate

C12H18O3 — CID 174867683

IUPACbenzene;ethyl 2-ethoxyacetate
SMILESCCOCC(=O)OCC.c1ccccc1
InChIInChI=1S/C6H12O3.C6H6/c1-3-8-5-6(7)9-4-2;1-2-4-6-5-3-1/h3-5H2,1-2H3;1-6H
InChIKeyXPHURWJWDHSNLP-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.27
Rot. Bonds4

About benzene;ethyl 2-ethoxyacetate

benzene;ethyl 2-ethoxyacetate (PubChem CID 174867683) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is benzene;ethyl 2-ethoxyacetate.

Molecular Properties

Compound Namebenzene;ethyl 2-ethoxyacetate
PubChem CID174867683
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Namebenzene;ethyl 2-ethoxyacetate
SMILESCCOCC(=O)OCC.c1ccccc1
InChIInChI=1S/C6H12O3.C6H6/c1-3-8-5-6(7)9-4-2;1-2-4-6-5-3-1/h3-5H2,1-2H3;1-6H
InChIKeyXPHURWJWDHSNLP-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
2-(2-ethoxy-2-oxoethoxy)acetic acid
CID 11305696
ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate
CID 158132975
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376
ethyl 2-(2,2-difluoroethoxy)acetate
CID 82005115
benzene;tert-butyl 2-ethoxyacetate
CID 174357524
ethyl 2-ethoxyacetate;methyl 3-hydroxypropanoate
CID 174878404
ethyl 2-(2-sulfanylethoxy)acetate
CID 174809512
2-methylpropyl 2-ethoxyacetate
CID 45108349
ethyl 2-butoxyacetate
CID 14419651
ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate
CID 86595203
ethyl 2-(2,3-dihydroxypropoxy)acetate
CID 57225948

Frequently Asked Questions

What is the IUPAC name of benzene;ethyl 2-ethoxyacetate?
The IUPAC name of benzene;ethyl 2-ethoxyacetate (CID 174867683) is benzene;ethyl 2-ethoxyacetate.
What is the SMILES notation for benzene;ethyl 2-ethoxyacetate?
The canonical SMILES for benzene;ethyl 2-ethoxyacetate is CCOCC(=O)OCC.c1ccccc1.
What is the InChIKey of benzene;ethyl 2-ethoxyacetate?
The InChIKey is XPHURWJWDHSNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C6H6/c1-3-8-5-6(7)9-4-2;1-2-4-6-5-3-1/h3-5H2,1-2H3;1-6H.
What are the key properties of benzene;ethyl 2-ethoxyacetate?
benzene;ethyl 2-ethoxyacetate has a molecular weight of 210.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethyl 2-ethoxyacetate is sourced from PubChem (CID 174867683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).