ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate

C16H22O4 — CID 103484892

IUPACethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate
SMILESCCOC(=O)CCC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C16H22O4/c1-4-19-16(18)10-9-13(17)11-20-15-8-6-5-7-14(15)12(2)3/h5-8,12H,4,9-11H2,1-3H3
InChIKeyHAKZNAXJONOBAG-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.10
Rot. Bonds8

About ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate

ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate (PubChem CID 103484892) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate.

Molecular Properties

Compound Nameethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate
PubChem CID103484892
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Nameethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate
SMILESCCOC(=O)CCC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C16H22O4/c1-4-19-16(18)10-9-13(17)11-20-15-8-6-5-7-14(15)12(2)3/h5-8,12H,4,9-11H2,1-3H3
InChIKeyHAKZNAXJONOBAG-UHFFFAOYSA-N
XLogP3.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate
CID 103484893
ethyl 4-(2-butan-2-ylphenoxy)-3-oxobutanoate
CID 60644082
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582
ethyl 4-oxo-5-phenoxypentanoate
CID 66322532
N-methyl-2-(2-propan-2-ylphenoxy)acetohydrazide
CID 116820498
1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one
CID 43799955
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550
ethyl 2-[2-[cyano(hydroperoxy)methyl]phenoxy]acetate
CID 89328311
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
(2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate
CID 19179422

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate?
The IUPAC name of ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate (CID 103484892) is ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate.
What is the SMILES notation for ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate?
The canonical SMILES for ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate is CCOC(=O)CCC(=O)COc1ccccc1C(C)C.
What is the InChIKey of ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate?
The InChIKey is HAKZNAXJONOBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-4-19-16(18)10-9-13(17)11-20-15-8-6-5-7-14(15)12(2)3/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate?
ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate has a molecular weight of 278.35 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate is sourced from PubChem (CID 103484892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).