ethyl 4-(4-methylphenyl)butanoate

C13H18O2 — CID 10013221

IUPACethyl 4-(4-methylphenyl)butanoate
SMILESCCOC(=O)CCCc1ccc(C)cc1
InChIInChI=1S/C13H18O2/c1-3-15-13(14)6-4-5-12-9-7-11(2)8-10-12/h7-10H,3-6H2,1-2H3
InChIKeyIFPICNZMLOJKRE-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.88
Rot. Bonds5

About ethyl 4-(4-methylphenyl)butanoate

ethyl 4-(4-methylphenyl)butanoate (PubChem CID 10013221) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is ethyl 4-(4-methylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-methylphenyl)butanoate
PubChem CID10013221
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Nameethyl 4-(4-methylphenyl)butanoate
SMILESCCOC(=O)CCCc1ccc(C)cc1
InChIInChI=1S/C13H18O2/c1-3-15-13(14)6-4-5-12-9-7-11(2)8-10-12/h7-10H,3-6H2,1-2H3
InChIKeyIFPICNZMLOJKRE-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255
ethyl 4-(4-chlorophenyl)butanoate
CID 14921100
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate
CID 102487727
ethyl 4-[3-(4-ethoxy-4-oxobutyl)phenyl]butanoate
CID 86073242
ethyl 13-(4-bromophenyl)tridecanoate
CID 134946562
1-O-ethyl 4-O-[(4-methylphenyl)methyl] butanedioate
CID 91703852
5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate
CID 91119269
ethyl 4-[(4-methylphenyl)methylamino]butanoate
CID 60687567
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
ethyl 4-[3-[5-(4-ethoxy-4-oxobutyl)-2-hydroxyphenyl]-4-hydroxyphenyl]butanoate
CID 54379044
ethyl 6-[4-(methylsulfanylmethyl)phenyl]hexanoate
CID 143472880
ethyl propanoate;2-(4-methylphenyl)ethyl propanoate
CID 156540203

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methylphenyl)butanoate?
The IUPAC name of ethyl 4-(4-methylphenyl)butanoate (CID 10013221) is ethyl 4-(4-methylphenyl)butanoate.
What is the SMILES notation for ethyl 4-(4-methylphenyl)butanoate?
The canonical SMILES for ethyl 4-(4-methylphenyl)butanoate is CCOC(=O)CCCc1ccc(C)cc1.
What is the InChIKey of ethyl 4-(4-methylphenyl)butanoate?
The InChIKey is IFPICNZMLOJKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-15-13(14)6-4-5-12-9-7-11(2)8-10-12/h7-10H,3-6H2,1-2H3.
What are the key properties of ethyl 4-(4-methylphenyl)butanoate?
ethyl 4-(4-methylphenyl)butanoate has a molecular weight of 206.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methylphenyl)butanoate is sourced from PubChem (CID 10013221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).