5-hydroxy-3-oxo-5,7-diphenylheptanoic acid

C19H20O4 — CID 18798662

IUPAC5-hydroxy-3-oxo-5,7-diphenylheptanoic acid
SMILESO=C(O)CC(=O)CC(O)(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O4/c20-17(13-18(21)22)14-19(23,16-9-5-2-6-10-16)12-11-15-7-3-1-4-8-15/h1-10,23H,11-14H2,(H,21,22)
InChIKeyJBURDPSPNFUPKM-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.94
Rot. Bonds8

About 5-hydroxy-3-oxo-5,7-diphenylheptanoic acid

5-hydroxy-3-oxo-5,7-diphenylheptanoic acid (PubChem CID 18798662) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-hydroxy-3-oxo-5,7-diphenylheptanoic acid.

Molecular Properties

Compound Name5-hydroxy-3-oxo-5,7-diphenylheptanoic acid
PubChem CID18798662
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name5-hydroxy-3-oxo-5,7-diphenylheptanoic acid
SMILESO=C(O)CC(=O)CC(O)(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O4/c20-17(13-18(21)22)14-19(23,16-9-5-2-6-10-16)12-11-15-7-3-1-4-8-15/h1-10,23H,11-14H2,(H,21,22)
InChIKeyJBURDPSPNFUPKM-UHFFFAOYSA-N
XLogP2.94
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-oxo-5,7-diphenylheptanoic acid?
The IUPAC name of 5-hydroxy-3-oxo-5,7-diphenylheptanoic acid (CID 18798662) is 5-hydroxy-3-oxo-5,7-diphenylheptanoic acid.
What is the SMILES notation for 5-hydroxy-3-oxo-5,7-diphenylheptanoic acid?
The canonical SMILES for 5-hydroxy-3-oxo-5,7-diphenylheptanoic acid is O=C(O)CC(=O)CC(O)(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 5-hydroxy-3-oxo-5,7-diphenylheptanoic acid?
The InChIKey is JBURDPSPNFUPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c20-17(13-18(21)22)14-19(23,16-9-5-2-6-10-16)12-11-15-7-3-1-4-8-15/h1-10,23H,11-14H2,(H,21,22).
What are the key properties of 5-hydroxy-3-oxo-5,7-diphenylheptanoic acid?
5-hydroxy-3-oxo-5,7-diphenylheptanoic acid has a molecular weight of 312.37 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-oxo-5,7-diphenylheptanoic acid is sourced from PubChem (CID 18798662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).