ethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate

C15H20O3 — CID 139576190

IUPACethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate
SMILESC=CC(C)(C)Oc1ccccc1CC(=O)OCC
InChIInChI=1S/C15H20O3/c1-5-15(3,4)18-13-10-8-7-9-12(13)11-14(16)17-6-2/h5,7-10H,1,6,11H2,2-4H3
InChIKeyXTMBEZTWPAPZDU-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.14
Rot. Bonds6

About ethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate

ethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate (PubChem CID 139576190) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate
PubChem CID139576190
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate
SMILESC=CC(C)(C)Oc1ccccc1CC(=O)OCC
InChIInChI=1S/C15H20O3/c1-5-15(3,4)18-13-10-8-7-9-12(13)11-14(16)17-6-2/h5,7-10H,1,6,11H2,2-4H3
InChIKeyXTMBEZTWPAPZDU-UHFFFAOYSA-N
XLogP3.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-[(3S)-2,3-dimethylpentan-3-yl]oxyphenyl]acetate
CID 166942858
ethyl 2-[2-[(E)-4-[3-(aminomethyl)-2-fluorophenyl]-2-methylpent-3-en-2-yl]oxyphenyl]acetate
CID 166942659
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
CID 140674199
ethyl 2-(2-butan-2-yloxyphenyl)acetate
CID 152870971
1-[2-(1,1-difluoroprop-2-enoxy)phenyl]propan-2-one
CID 123182764
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
ethyl 2-[2-hydroxy-3-(trifluoromethoxy)phenyl]acetate
CID 134638969
ethyl 2-[2-formyl-3-(trifluoromethoxy)phenyl]acetate
CID 170998207
ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate
CID 110445074
ethyl 2-[2-(chloromethyl)phenyl]acetate
CID 13386156
ethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate
CID 166942836

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate?
The IUPAC name of ethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate (CID 139576190) is ethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate is C=CC(C)(C)Oc1ccccc1CC(=O)OCC.
What is the InChIKey of ethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate?
The InChIKey is XTMBEZTWPAPZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-5-15(3,4)18-13-10-8-7-9-12(13)11-14(16)17-6-2/h5,7-10H,1,6,11H2,2-4H3.
What are the key properties of ethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate?
ethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate has a molecular weight of 248.32 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate is sourced from PubChem (CID 139576190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).