5-(3-chlorophenyl)-5-oxo-3-phenylpentanoic acid

C17H15ClO3 — CID 45381626

IUPAC5-(3-chlorophenyl)-5-oxo-3-phenylpentanoic acid
SMILESO=C(O)CC(CC(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H15ClO3/c18-15-8-4-7-13(9-15)16(19)10-14(11-17(20)21)12-5-2-1-3-6-12/h1-9,14H,10-11H2,(H,20,21)
InChIKeySZXSVAUOXRWXJR-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.17
Rot. Bonds6

About 5-(3-chlorophenyl)-5-oxo-3-phenylpentanoic acid

5-(3-chlorophenyl)-5-oxo-3-phenylpentanoic acid (PubChem CID 45381626) has the molecular formula C17H15ClO3 and a molecular weight of 302.76 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-5-oxo-3-phenylpentanoic acid.

Molecular Properties

Compound Name5-(3-chlorophenyl)-5-oxo-3-phenylpentanoic acid
PubChem CID45381626
Molecular FormulaC17H15ClO3
Molecular Weight302.76 g/mol
Exact Mass302.07
IUPAC Name5-(3-chlorophenyl)-5-oxo-3-phenylpentanoic acid
SMILESO=C(O)CC(CC(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H15ClO3/c18-15-8-4-7-13(9-15)16(19)10-14(11-17(20)21)12-5-2-1-3-6-12/h1-9,14H,10-11H2,(H,20,21)
InChIKeySZXSVAUOXRWXJR-UHFFFAOYSA-N
XLogP4.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-5-oxo-3-phenylpentanoic acid?
The IUPAC name of 5-(3-chlorophenyl)-5-oxo-3-phenylpentanoic acid (CID 45381626) is 5-(3-chlorophenyl)-5-oxo-3-phenylpentanoic acid.
What is the SMILES notation for 5-(3-chlorophenyl)-5-oxo-3-phenylpentanoic acid?
The canonical SMILES for 5-(3-chlorophenyl)-5-oxo-3-phenylpentanoic acid is O=C(O)CC(CC(=O)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 5-(3-chlorophenyl)-5-oxo-3-phenylpentanoic acid?
The InChIKey is SZXSVAUOXRWXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO3/c18-15-8-4-7-13(9-15)16(19)10-14(11-17(20)21)12-5-2-1-3-6-12/h1-9,14H,10-11H2,(H,20,21).
What are the key properties of 5-(3-chlorophenyl)-5-oxo-3-phenylpentanoic acid?
5-(3-chlorophenyl)-5-oxo-3-phenylpentanoic acid has a molecular weight of 302.76 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-5-oxo-3-phenylpentanoic acid is sourced from PubChem (CID 45381626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).