ethyl 2-(4-propan-2-ylphenyl)pentanoate

C16H24O2 — CID 83042532

IUPACethyl 2-(4-propan-2-ylphenyl)pentanoate
SMILESCCCC(C(=O)OCC)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H24O2/c1-5-7-15(16(17)18-6-2)14-10-8-13(9-11-14)12(3)4/h8-12,15H,5-7H2,1-4H3
InChIKeyIMTZRDRAMBGIGH-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.26
Rot. Bonds6

About ethyl 2-(4-propan-2-ylphenyl)pentanoate

ethyl 2-(4-propan-2-ylphenyl)pentanoate (PubChem CID 83042532) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is ethyl 2-(4-propan-2-ylphenyl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(4-propan-2-ylphenyl)pentanoate
PubChem CID83042532
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Nameethyl 2-(4-propan-2-ylphenyl)pentanoate
SMILESCCCC(C(=O)OCC)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H24O2/c1-5-7-15(16(17)18-6-2)14-10-8-13(9-11-14)12(3)4/h8-12,15H,5-7H2,1-4H3
InChIKeyIMTZRDRAMBGIGH-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2R)-2-(4-aminophenyl)hexanoate
CID 124565457
ethyl 2-(3,4-dimethylphenyl)pentanoate
CID 83043344
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588
ethyl 2-(4-butan-2-ylphenyl)butanoate
CID 10490801
ethyl 3,3-dimethyl-2-(4-propan-2-ylphenyl)butanoate
CID 167383651
2-(4-methylphenyl)pentanamide
CID 91135302
ethyl 2-[hydroxy-(4-propan-2-ylphenyl)methyl]-3-methylbutanoate
CID 62398184
ethyl 2-(4-bromophenyl)-4-methoxybutanoate
CID 143958624
ethyl 2-(4-bromophenyl)butanoate
CID 57082745
ethyl 6-iodo-2-phenylheptanoate
CID 14968956
ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate
CID 79356641
ethyl 5-oxo-2-phenylhexanoate
CID 15445591

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-propan-2-ylphenyl)pentanoate?
The IUPAC name of ethyl 2-(4-propan-2-ylphenyl)pentanoate (CID 83042532) is ethyl 2-(4-propan-2-ylphenyl)pentanoate.
What is the SMILES notation for ethyl 2-(4-propan-2-ylphenyl)pentanoate?
The canonical SMILES for ethyl 2-(4-propan-2-ylphenyl)pentanoate is CCCC(C(=O)OCC)c1ccc(C(C)C)cc1.
What is the InChIKey of ethyl 2-(4-propan-2-ylphenyl)pentanoate?
The InChIKey is IMTZRDRAMBGIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-7-15(16(17)18-6-2)14-10-8-13(9-11-14)12(3)4/h8-12,15H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(4-propan-2-ylphenyl)pentanoate?
ethyl 2-(4-propan-2-ylphenyl)pentanoate has a molecular weight of 248.37 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-propan-2-ylphenyl)pentanoate is sourced from PubChem (CID 83042532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).