ethyl 5-oxo-5-(4-phenylphenyl)pentanoate

C19H20O3 — CID 15728866

IUPACethyl 5-oxo-5-(4-phenylphenyl)pentanoate
SMILESCCOC(=O)CCCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H20O3/c1-2-22-19(21)10-6-9-18(20)17-13-11-16(12-14-17)15-7-4-3-5-8-15/h3-5,7-8,11-14H,2,6,9-10H2,1H3
InChIKeyIFALTPGIZYXFHN-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.27
Rot. Bonds7

About ethyl 5-oxo-5-(4-phenylphenyl)pentanoate

ethyl 5-oxo-5-(4-phenylphenyl)pentanoate (PubChem CID 15728866) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 5-oxo-5-(4-phenylphenyl)pentanoate.

Molecular Properties

Compound Nameethyl 5-oxo-5-(4-phenylphenyl)pentanoate
PubChem CID15728866
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Nameethyl 5-oxo-5-(4-phenylphenyl)pentanoate
SMILESCCOC(=O)CCCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H20O3/c1-2-22-19(21)10-6-9-18(20)17-13-11-16(12-14-17)15-7-4-3-5-8-15/h3-5,7-8,11-14H,2,6,9-10H2,1H3
InChIKeyIFALTPGIZYXFHN-UHFFFAOYSA-N
XLogP4.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 7-(4-methylphenyl)-7-oxoheptanoate
CID 24727327
ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate
CID 24727563
ethyl 5-[4-(chloromethyl)phenyl]-5-oxopentanoate
CID 157064141
ethyl 4-(4-phenylpyridin-1-ium-1-yl)butanoate
CID 97301878
ethyl 5-phenylhex-5-enoate
CID 146276439
(2-ethoxy-2-oxoethyl) 4-phenylbenzoate
CID 78788675
O-ethyl 5-oxo-5-phenylpentanethioate
CID 142771303
ethyl 6-oxo-6-[4-(trifluoromethyl)phenyl]hexanoate
CID 24727520
methyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 527312
methyl 4-oxo-4-[4-(4-phenylphenyl)phenyl]butanoate
CID 10871655
ethyl 4-(4-pentanoylphenoxy)butanoate
CID 68805666
ethyl 5-(3-iodophenyl)-5-oxopentanoate
CID 24727494

Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-5-(4-phenylphenyl)pentanoate?
The IUPAC name of ethyl 5-oxo-5-(4-phenylphenyl)pentanoate (CID 15728866) is ethyl 5-oxo-5-(4-phenylphenyl)pentanoate.
What is the SMILES notation for ethyl 5-oxo-5-(4-phenylphenyl)pentanoate?
The canonical SMILES for ethyl 5-oxo-5-(4-phenylphenyl)pentanoate is CCOC(=O)CCCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl 5-oxo-5-(4-phenylphenyl)pentanoate?
The InChIKey is IFALTPGIZYXFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-2-22-19(21)10-6-9-18(20)17-13-11-16(12-14-17)15-7-4-3-5-8-15/h3-5,7-8,11-14H,2,6,9-10H2,1H3.
What are the key properties of ethyl 5-oxo-5-(4-phenylphenyl)pentanoate?
ethyl 5-oxo-5-(4-phenylphenyl)pentanoate has a molecular weight of 296.37 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-5-(4-phenylphenyl)pentanoate is sourced from PubChem (CID 15728866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).