methyl 2-(4-butylphenyl)-2-methylpropanoate

C15H22O2 — CID 67631955

IUPACmethyl 2-(4-butylphenyl)-2-methylpropanoate
SMILESCCCCc1ccc(C(C)(C)C(=O)OC)cc1
InChIInChI=1S/C15H22O2/c1-5-6-7-12-8-10-13(11-9-12)15(2,3)14(16)17-4/h8-11H,5-7H2,1-4H3
InChIKeyJJOFUQNCQPKAQH-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.48
Rot. Bonds5

About methyl 2-(4-butylphenyl)-2-methylpropanoate

methyl 2-(4-butylphenyl)-2-methylpropanoate (PubChem CID 67631955) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is methyl 2-(4-butylphenyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4-butylphenyl)-2-methylpropanoate
PubChem CID67631955
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Namemethyl 2-(4-butylphenyl)-2-methylpropanoate
SMILESCCCCc1ccc(C(C)(C)C(=O)OC)cc1
InChIInChI=1S/C15H22O2/c1-5-6-7-12-8-10-13(11-9-12)15(2,3)14(16)17-4/h8-11H,5-7H2,1-4H3
InChIKeyJJOFUQNCQPKAQH-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

methyl 2-[4-(4-chloro-4-hydroxybutyl)phenyl]-2-methylpropanoate
CID 57073145
3-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]propanoic acid
CID 156541712
2-(4-butylphenyl)-2-methylpropanamide
CID 70289793
ethyl 2-[4-[3-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phenyl]propyl]phenyl]-2-methylpropanoate
CID 70583800
methyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate
CID 104643925
methyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate
CID 143449159
3-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 156541484
methyl 2-(4-butylphenyl)acetate
CID 10442975
methyl 2-methyl-2-(4-sulfanylphenyl)propanoate
CID 69138846
3-methyl-3-(4-propylphenyl)butan-2-one
CID 82282891
methyl 4-(4-butylphenoxy)-2-methyl-2-(methylamino)butanoate
CID 115493155
methyl 2,2-dimethyl-3-oxo-3-(4-propylphenyl)propanoate
CID 116919228

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-butylphenyl)-2-methylpropanoate?
The IUPAC name of methyl 2-(4-butylphenyl)-2-methylpropanoate (CID 67631955) is methyl 2-(4-butylphenyl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(4-butylphenyl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(4-butylphenyl)-2-methylpropanoate is CCCCc1ccc(C(C)(C)C(=O)OC)cc1.
What is the InChIKey of methyl 2-(4-butylphenyl)-2-methylpropanoate?
The InChIKey is JJOFUQNCQPKAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-6-7-12-8-10-13(11-9-12)15(2,3)14(16)17-4/h8-11H,5-7H2,1-4H3.
What are the key properties of methyl 2-(4-butylphenyl)-2-methylpropanoate?
methyl 2-(4-butylphenyl)-2-methylpropanoate has a molecular weight of 234.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-butylphenyl)-2-methylpropanoate is sourced from PubChem (CID 67631955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).