tert-butyl 2-(2-methylphenyl)acetate

C13H18O2 — CID 59473897

IUPACtert-butyl 2-(2-methylphenyl)acetate
SMILESCc1ccccc1CC(=O)OC(C)(C)C
InChIInChI=1S/C13H18O2/c1-10-7-5-6-8-11(10)9-12(14)15-13(2,3)4/h5-8H,9H2,1-4H3
InChIKeyVKCHCZAHCJKTAH-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.88
Rot. Bonds2

About tert-butyl 2-(2-methylphenyl)acetate

tert-butyl 2-(2-methylphenyl)acetate (PubChem CID 59473897) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is tert-butyl 2-(2-methylphenyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-methylphenyl)acetate
PubChem CID59473897
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Nametert-butyl 2-(2-methylphenyl)acetate
SMILESCc1ccccc1CC(=O)OC(C)(C)C
InChIInChI=1S/C13H18O2/c1-10-7-5-6-8-11(10)9-12(14)15-13(2,3)4/h5-8H,9H2,1-4H3
InChIKeyVKCHCZAHCJKTAH-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methylphenyl)acetate?
The IUPAC name of tert-butyl 2-(2-methylphenyl)acetate (CID 59473897) is tert-butyl 2-(2-methylphenyl)acetate.
What is the SMILES notation for tert-butyl 2-(2-methylphenyl)acetate?
The canonical SMILES for tert-butyl 2-(2-methylphenyl)acetate is Cc1ccccc1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methylphenyl)acetate?
The InChIKey is VKCHCZAHCJKTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-7-5-6-8-11(10)9-12(14)15-13(2,3)4/h5-8H,9H2,1-4H3.
What are the key properties of tert-butyl 2-(2-methylphenyl)acetate?
tert-butyl 2-(2-methylphenyl)acetate has a molecular weight of 206.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methylphenyl)acetate is sourced from PubChem (CID 59473897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).