methyl 4-(2-tert-butylphenyl)butanoate

C15H22O2 — CID 158714084

IUPACmethyl 4-(2-tert-butylphenyl)butanoate
SMILESCOC(=O)CCCc1ccccc1C(C)(C)C
InChIInChI=1S/C15H22O2/c1-15(2,3)13-10-6-5-8-12(13)9-7-11-14(16)17-4/h5-6,8,10H,7,9,11H2,1-4H3
InChIKeyIJCADWUSJPPSJY-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.48
Rot. Bonds4

About methyl 4-(2-tert-butylphenyl)butanoate

methyl 4-(2-tert-butylphenyl)butanoate (PubChem CID 158714084) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is methyl 4-(2-tert-butylphenyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-tert-butylphenyl)butanoate
PubChem CID158714084
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Namemethyl 4-(2-tert-butylphenyl)butanoate
SMILESCOC(=O)CCCc1ccccc1C(C)(C)C
InChIInChI=1S/C15H22O2/c1-15(2,3)13-10-6-5-8-12(13)9-7-11-14(16)17-4/h5-6,8,10H,7,9,11H2,1-4H3
InChIKeyIJCADWUSJPPSJY-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3-methoxy-3-oxopropyl)phenyl]butanoic acid
CID 18944108
bis[2-(2-tert-butylphenyl)ethyl] carbonate
CID 67162129
methyl 4-(2-hydroxy-3-iodophenyl)butanoate
CID 155290713
methyl 4-(1-hydroxyindol-3-yl)butanoate
CID 10900530
3-(2-tert-butylphenyl)propan-1-amine
CID 84772141
methyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate
CID 159229214
methyl 3-(2-tert-butyl-N-methylanilino)propanoate
CID 117029464
2,6-ditert-butylphenol;methyl propanoate
CID 174866169
2-hydroxy-3-(3-methoxy-3-oxopropyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]butanoic acid
CID 67944208
4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid
CID 117345129
methyl 4-(2-propylanilino)butanoate
CID 54963180
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-tert-butylphenyl)butanoate?
The IUPAC name of methyl 4-(2-tert-butylphenyl)butanoate (CID 158714084) is methyl 4-(2-tert-butylphenyl)butanoate.
What is the SMILES notation for methyl 4-(2-tert-butylphenyl)butanoate?
The canonical SMILES for methyl 4-(2-tert-butylphenyl)butanoate is COC(=O)CCCc1ccccc1C(C)(C)C.
What is the InChIKey of methyl 4-(2-tert-butylphenyl)butanoate?
The InChIKey is IJCADWUSJPPSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-15(2,3)13-10-6-5-8-12(13)9-7-11-14(16)17-4/h5-6,8,10H,7,9,11H2,1-4H3.
What are the key properties of methyl 4-(2-tert-butylphenyl)butanoate?
methyl 4-(2-tert-butylphenyl)butanoate has a molecular weight of 234.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-tert-butylphenyl)butanoate is sourced from PubChem (CID 158714084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).