ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate

C15H20O4 — CID 24727563

IUPACethyl 5-(4-ethoxyphenyl)-5-oxopentanoate
SMILESCCOC(=O)CCCC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C15H20O4/c1-3-18-13-10-8-12(9-11-13)14(16)6-5-7-15(17)19-4-2/h8-11H,3-7H2,1-2H3
InChIKeyCNLRZZKVWLQTSI-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.00
Rot. Bonds8

About ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate

ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate (PubChem CID 24727563) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(4-ethoxyphenyl)-5-oxopentanoate
PubChem CID24727563
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 5-(4-ethoxyphenyl)-5-oxopentanoate
SMILESCCOC(=O)CCCC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C15H20O4/c1-3-18-13-10-8-12(9-11-13)14(16)6-5-7-15(17)19-4-2/h8-11H,3-7H2,1-2H3
InChIKeyCNLRZZKVWLQTSI-UHFFFAOYSA-N
XLogP3.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-pentanoylphenoxy)butanoate
CID 68805666
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
ethyl 6-(4-heptoxyphenyl)-6-oxohexanoate
CID 24727585
ethyl 7-(4-methylphenyl)-7-oxoheptanoate
CID 24727327
1-(4-ethoxyphenyl)dodecan-1-one
CID 146006535
ethyl 5-oxo-5-(4-phenylphenyl)pentanoate
CID 15728866
ethyl 5-[4-(chloromethyl)phenyl]-5-oxopentanoate
CID 157064141
ethyl 7-oxo-7-(4-propan-2-yloxyphenyl)heptanoate
CID 24727573
1-(4-ethoxyphenyl)-4-(methylamino)butan-1-one
CID 116555513
4-ethoxy-1-(4-ethoxyphenyl)butan-1-one
CID 105093941
ethyl 11-[4-[2-(dimethylamino)acetyl]phenoxy]undecanoate
CID 170896043
4-amino-1-(4-ethoxyphenyl)pentan-1-one
CID 116571550

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate?
The IUPAC name of ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate (CID 24727563) is ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate.
What is the SMILES notation for ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate?
The canonical SMILES for ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate is CCOC(=O)CCCC(=O)c1ccc(OCC)cc1.
What is the InChIKey of ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate?
The InChIKey is CNLRZZKVWLQTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-18-13-10-8-12(9-11-13)14(16)6-5-7-15(17)19-4-2/h8-11H,3-7H2,1-2H3.
What are the key properties of ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate?
ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate has a molecular weight of 264.32 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate is sourced from PubChem (CID 24727563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).