(2-tert-butyl-4-methylphenyl) 2-methoxyacetate

C14H20O3 — CID 19184240

IUPAC(2-tert-butyl-4-methylphenyl) 2-methoxyacetate
SMILESCOCC(=O)Oc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C14H20O3/c1-10-6-7-12(17-13(15)9-16-5)11(8-10)14(2,3)4/h6-8H,9H2,1-5H3
InChIKeyAYTNWNZGPDCMBE-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.84
Rot. Bonds3

About (2-tert-butyl-4-methylphenyl) 2-methoxyacetate

(2-tert-butyl-4-methylphenyl) 2-methoxyacetate (PubChem CID 19184240) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2-tert-butyl-4-methylphenyl) 2-methoxyacetate.

Molecular Properties

Compound Name(2-tert-butyl-4-methylphenyl) 2-methoxyacetate
PubChem CID19184240
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(2-tert-butyl-4-methylphenyl) 2-methoxyacetate
SMILESCOCC(=O)Oc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C14H20O3/c1-10-6-7-12(17-13(15)9-16-5)11(8-10)14(2,3)4/h6-8H,9H2,1-5H3
InChIKeyAYTNWNZGPDCMBE-UHFFFAOYSA-N
XLogP2.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-tert-butyl-4-methylphenyl) 2-(4-chlorophenoxy)acetate
CID 19178958
(2-bromo-4-methylphenyl) 2-(2-tert-butyl-4-methylphenoxy)acetate
CID 19179152
(2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate
CID 19934094
(2-tert-butyl-4-methylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 1180206
(4-methylphenyl) 2-methoxyacetate
CID 142940402
(2-tert-butyl-4-methylphenyl) 4-propan-2-ylbenzoate
CID 2071946
tert-butyl 2-(2-tert-butyl-4-methylphenoxy)propanoate
CID 66339013
(2-tert-butyl-4-methylphenyl) 3-[propan-2-yl(propan-2-yloxy)phosphoryl]oxypropanoate
CID 57010309
2-(2-tert-butyl-4-methylphenoxy)propanoyl chloride
CID 82042146
3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide
CID 79627985
(2-tert-butyl-4-methylphenyl) 3-phenylprop-2-enoate
CID 4940161
N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide
CID 19169265

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4-methylphenyl) 2-methoxyacetate?
The IUPAC name of (2-tert-butyl-4-methylphenyl) 2-methoxyacetate (CID 19184240) is (2-tert-butyl-4-methylphenyl) 2-methoxyacetate.
What is the SMILES notation for (2-tert-butyl-4-methylphenyl) 2-methoxyacetate?
The canonical SMILES for (2-tert-butyl-4-methylphenyl) 2-methoxyacetate is COCC(=O)Oc1ccc(C)cc1C(C)(C)C.
What is the InChIKey of (2-tert-butyl-4-methylphenyl) 2-methoxyacetate?
The InChIKey is AYTNWNZGPDCMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-6-7-12(17-13(15)9-16-5)11(8-10)14(2,3)4/h6-8H,9H2,1-5H3.
What are the key properties of (2-tert-butyl-4-methylphenyl) 2-methoxyacetate?
(2-tert-butyl-4-methylphenyl) 2-methoxyacetate has a molecular weight of 236.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4-methylphenyl) 2-methoxyacetate is sourced from PubChem (CID 19184240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).