ethyl 2-(2-ethylphenyl)acetate

C12H16O2 — CID 45489731

IUPACethyl 2-(2-ethylphenyl)acetate
SMILESCCOC(=O)Cc1ccccc1CC
InChIInChI=1S/C12H16O2/c1-3-10-7-5-6-8-11(10)9-12(13)14-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyUIQQJQSVVRSHMH-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.35
Rot. Bonds4

About ethyl 2-(2-ethylphenyl)acetate

ethyl 2-(2-ethylphenyl)acetate (PubChem CID 45489731) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is ethyl 2-(2-ethylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-ethylphenyl)acetate
PubChem CID45489731
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Nameethyl 2-(2-ethylphenyl)acetate
SMILESCCOC(=O)Cc1ccccc1CC
InChIInChI=1S/C12H16O2/c1-3-10-7-5-6-8-11(10)9-12(13)14-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyUIQQJQSVVRSHMH-UHFFFAOYSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethylphenyl)acetate?
The IUPAC name of ethyl 2-(2-ethylphenyl)acetate (CID 45489731) is ethyl 2-(2-ethylphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-ethylphenyl)acetate?
The canonical SMILES for ethyl 2-(2-ethylphenyl)acetate is CCOC(=O)Cc1ccccc1CC.
What is the InChIKey of ethyl 2-(2-ethylphenyl)acetate?
The InChIKey is UIQQJQSVVRSHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-10-7-5-6-8-11(10)9-12(13)14-4-2/h5-8H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2-(2-ethylphenyl)acetate?
ethyl 2-(2-ethylphenyl)acetate has a molecular weight of 192.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethylphenyl)acetate is sourced from PubChem (CID 45489731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).