ethyl 2-[2-(2-methylpropyl)phenyl]acetate

C14H20O2 — CID 105476130

IUPACethyl 2-[2-(2-methylpropyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1CC(C)C
InChIInChI=1S/C14H20O2/c1-4-16-14(15)10-13-8-6-5-7-12(13)9-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyIHEZHZALPLSTAC-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.99
Rot. Bonds5

About ethyl 2-[2-(2-methylpropyl)phenyl]acetate

ethyl 2-[2-(2-methylpropyl)phenyl]acetate (PubChem CID 105476130) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is ethyl 2-[2-(2-methylpropyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-methylpropyl)phenyl]acetate
PubChem CID105476130
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nameethyl 2-[2-(2-methylpropyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1CC(C)C
InChIInChI=1S/C14H20O2/c1-4-16-14(15)10-13-8-6-5-7-12(13)9-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyIHEZHZALPLSTAC-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate
CID 140674159
ethyl 2-[2-(chloromethyl)phenyl]acetate
CID 13386156
ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
CID 140674199
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504
ethyl 2-[2-(2-bromoethyl)phenyl]acetate
CID 174487319
ethyl 2-[2-(3-oxobutyl)phenyl]acetate
CID 101402561
ethyl 2-(2-butan-2-yloxyphenyl)acetate
CID 152870971
2-(2-ethoxy-2-oxoethyl)benzoic acid
CID 11367771
(1-ethoxy-1-oxohexan-3-yl) 2-(2-methylpropyl)benzoate
CID 174424916
bis[[2-(2-methylpropyl)phenyl]methyl] benzene-1,2-dicarboxylate
CID 66626911

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-methylpropyl)phenyl]acetate?
The IUPAC name of ethyl 2-[2-(2-methylpropyl)phenyl]acetate (CID 105476130) is ethyl 2-[2-(2-methylpropyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-methylpropyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-(2-methylpropyl)phenyl]acetate is CCOC(=O)Cc1ccccc1CC(C)C.
What is the InChIKey of ethyl 2-[2-(2-methylpropyl)phenyl]acetate?
The InChIKey is IHEZHZALPLSTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-16-14(15)10-13-8-6-5-7-12(13)9-11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[2-(2-methylpropyl)phenyl]acetate?
ethyl 2-[2-(2-methylpropyl)phenyl]acetate has a molecular weight of 220.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-methylpropyl)phenyl]acetate is sourced from PubChem (CID 105476130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).