acetyl 2-(2-tert-butylphenoxy)acetate

C14H18O4 — CID 87336572

IUPACacetyl 2-(2-tert-butylphenoxy)acetate
SMILESCC(=O)OC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C14H18O4/c1-10(15)18-13(16)9-17-12-8-6-5-7-11(12)14(2,3)4/h5-8H,9H2,1-4H3
InChIKeyCUGAOBZPLQSDRH-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.45
Rot. Bonds3

About acetyl 2-(2-tert-butylphenoxy)acetate

acetyl 2-(2-tert-butylphenoxy)acetate (PubChem CID 87336572) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is acetyl 2-(2-tert-butylphenoxy)acetate.

Molecular Properties

Compound Nameacetyl 2-(2-tert-butylphenoxy)acetate
PubChem CID87336572
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Nameacetyl 2-(2-tert-butylphenoxy)acetate
SMILESCC(=O)OC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C14H18O4/c1-10(15)18-13(16)9-17-12-8-6-5-7-11(12)14(2,3)4/h5-8H,9H2,1-4H3
InChIKeyCUGAOBZPLQSDRH-UHFFFAOYSA-N
XLogP2.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(2-tert-butylphenoxy)acetamide
CID 17051379
lithium 2-(2-tert-butylphenoxy)acetate
CID 19205698
(4-acetylphenyl) 2-(2-tert-butylphenoxy)acetate
CID 19179920
2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate
CID 78832274
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701080
(4-benzoylphenyl) 2-(2-tert-butylphenoxy)acetate
CID 43910968
5-(2-tert-butylphenoxy)pentan-2-one
CID 43793545
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701384
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701075
2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate
CID 9170941
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butylphenoxy)acetamide
CID 119523420
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856

Frequently Asked Questions

What is the IUPAC name of acetyl 2-(2-tert-butylphenoxy)acetate?
The IUPAC name of acetyl 2-(2-tert-butylphenoxy)acetate (CID 87336572) is acetyl 2-(2-tert-butylphenoxy)acetate.
What is the SMILES notation for acetyl 2-(2-tert-butylphenoxy)acetate?
The canonical SMILES for acetyl 2-(2-tert-butylphenoxy)acetate is CC(=O)OC(=O)COc1ccccc1C(C)(C)C.
What is the InChIKey of acetyl 2-(2-tert-butylphenoxy)acetate?
The InChIKey is CUGAOBZPLQSDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-10(15)18-13(16)9-17-12-8-6-5-7-11(12)14(2,3)4/h5-8H,9H2,1-4H3.
What are the key properties of acetyl 2-(2-tert-butylphenoxy)acetate?
acetyl 2-(2-tert-butylphenoxy)acetate has a molecular weight of 250.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-(2-tert-butylphenoxy)acetate is sourced from PubChem (CID 87336572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).