(2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate

C15H20O2 — CID 19934094

IUPAC(2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C15H20O2/c1-10(2)14(16)17-13-8-7-11(3)9-12(13)15(4,5)6/h7-9H,1H2,2-6H3
InChIKeyNVRYRHQAXJFLAF-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.77
Rot. Bonds2

About (2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate

(2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate (PubChem CID 19934094) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate
PubChem CID19934094
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C15H20O2/c1-10(2)14(16)17-13-8-7-11(3)9-12(13)15(4,5)6/h7-9H,1H2,2-6H3
InChIKeyNVRYRHQAXJFLAF-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate?
The IUPAC name of (2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate (CID 19934094) is (2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(C)cc1C(C)(C)C.
What is the InChIKey of (2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate?
The InChIKey is NVRYRHQAXJFLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10(2)14(16)17-13-8-7-11(3)9-12(13)15(4,5)6/h7-9H,1H2,2-6H3.
What are the key properties of (2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate?
(2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate has a molecular weight of 232.32 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 19934094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).