(5-methyl-2-propan-2-ylphenyl) (Z)-2-methylbut-2-enoate

C15H20O2 — CID 24862589

IUPAC(5-methyl-2-propan-2-ylphenyl) (Z)-2-methylbut-2-enoate
SMILESC/C=C(/C)C(=O)Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C15H20O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h6-10H,1-5H3/b12-6-
InChIKeyUUEIVUJSJLKAAM-SDQBBNPISA-N
MW232.32 g/mol
LogP3.99
Rot. Bonds3

About (5-methyl-2-propan-2-ylphenyl) (Z)-2-methylbut-2-enoate

(5-methyl-2-propan-2-ylphenyl) (Z)-2-methylbut-2-enoate (PubChem CID 24862589) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylphenyl) (Z)-2-methylbut-2-enoate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylphenyl) (Z)-2-methylbut-2-enoate
PubChem CID24862589
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(5-methyl-2-propan-2-ylphenyl) (Z)-2-methylbut-2-enoate
SMILESC/C=C(/C)C(=O)Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C15H20O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h6-10H,1-5H3/b12-6-
InChIKeyUUEIVUJSJLKAAM-SDQBBNPISA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.99
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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Related Compounds

[2-[(2S)-1-acetyloxypropan-2-yl]-5-methylphenyl] (E)-2-methylbut-2-enoate
CID 162987784
ethyl (5-methyl-2-propan-2-ylphenyl) carbonate
CID 162444144
(5-methyl-2-propan-2-ylphenyl) (2E)-3,7-dimethylocta-2,6-dienoate
CID 170275266
(5-methyl-2-propan-2-ylphenyl) 4-(difluoromethoxy)benzoate
CID 2461110
(5-methyl-2-propan-2-ylphenyl) 4-methoxybutanoate
CID 78894828
(3,5-dimethylphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 680450
(5-methyl-2-propan-2-ylphenyl) 2,2-dimethylcyclopropane-1-carboxylate
CID 137492386
[2-[(2R)-1-hydroxy-2-methoxypropan-2-yl]-5-methylphenyl] (Z)-2-methylbut-2-enoate
CID 163013091
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241
propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 54941393
1-[5-bromo-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethanone
CID 82954571
(3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8758790

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylphenyl) (Z)-2-methylbut-2-enoate?
The IUPAC name of (5-methyl-2-propan-2-ylphenyl) (Z)-2-methylbut-2-enoate (CID 24862589) is (5-methyl-2-propan-2-ylphenyl) (Z)-2-methylbut-2-enoate.
What is the SMILES notation for (5-methyl-2-propan-2-ylphenyl) (Z)-2-methylbut-2-enoate?
The canonical SMILES for (5-methyl-2-propan-2-ylphenyl) (Z)-2-methylbut-2-enoate is C/C=C(/C)C(=O)Oc1cc(C)ccc1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylphenyl) (Z)-2-methylbut-2-enoate?
The InChIKey is UUEIVUJSJLKAAM-SDQBBNPISA-N. The full InChI is InChI=1S/C15H20O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h6-10H,1-5H3/b12-6-.
What are the key properties of (5-methyl-2-propan-2-ylphenyl) (Z)-2-methylbut-2-enoate?
(5-methyl-2-propan-2-ylphenyl) (Z)-2-methylbut-2-enoate has a molecular weight of 232.32 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylphenyl) (Z)-2-methylbut-2-enoate is sourced from PubChem (CID 24862589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).