5-oxo-5-(3-phenoxyphenyl)pentanoic acid

C17H16O4 — CID 11659220

IUPAC5-oxo-5-(3-phenoxyphenyl)pentanoic acid
SMILESO=C(O)CCCC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H16O4/c18-16(10-5-11-17(19)20)13-6-4-9-15(12-13)21-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H,19,20)
InChIKeyLZGWDNAFPYZAQT-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.92
Rot. Bonds7

About 5-oxo-5-(3-phenoxyphenyl)pentanoic acid

5-oxo-5-(3-phenoxyphenyl)pentanoic acid (PubChem CID 11659220) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-oxo-5-(3-phenoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(3-phenoxyphenyl)pentanoic acid
PubChem CID11659220
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name5-oxo-5-(3-phenoxyphenyl)pentanoic acid
SMILESO=C(O)CCCC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H16O4/c18-16(10-5-11-17(19)20)13-6-4-9-15(12-13)21-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H,19,20)
InChIKeyLZGWDNAFPYZAQT-UHFFFAOYSA-N
XLogP3.92
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[2-(3-phenoxyphenyl)acetyl]benzonitrile
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4-[(3-phenoxyphenyl)methylamino]butanoic acid
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4-methoxy-1-(3-methoxyphenyl)butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(3-phenoxyphenyl)pentanoic acid?
The IUPAC name of 5-oxo-5-(3-phenoxyphenyl)pentanoic acid (CID 11659220) is 5-oxo-5-(3-phenoxyphenyl)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(3-phenoxyphenyl)pentanoic acid?
The canonical SMILES for 5-oxo-5-(3-phenoxyphenyl)pentanoic acid is O=C(O)CCCC(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 5-oxo-5-(3-phenoxyphenyl)pentanoic acid?
The InChIKey is LZGWDNAFPYZAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c18-16(10-5-11-17(19)20)13-6-4-9-15(12-13)21-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H,19,20).
What are the key properties of 5-oxo-5-(3-phenoxyphenyl)pentanoic acid?
5-oxo-5-(3-phenoxyphenyl)pentanoic acid has a molecular weight of 284.31 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(3-phenoxyphenyl)pentanoic acid is sourced from PubChem (CID 11659220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).