5-[4-(4-acetylphenyl)phenyl]-3-hydroxypentanoic acid

C19H20O4 — CID 11335940

IUPAC5-[4-(4-acetylphenyl)phenyl]-3-hydroxypentanoic acid
SMILESCC(=O)c1ccc(-c2ccc(CCC(O)CC(=O)O)cc2)cc1
InChIInChI=1S/C19H20O4/c1-13(20)15-7-9-17(10-8-15)16-5-2-14(3-6-16)4-11-18(21)12-19(22)23/h2-3,5-10,18,21H,4,11-12H2,1H3,(H,22,23)
InChIKeyQSVVRYPBRVSBDL-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.32
Rot. Bonds7

About 5-[4-(4-acetylphenyl)phenyl]-3-hydroxypentanoic acid

5-[4-(4-acetylphenyl)phenyl]-3-hydroxypentanoic acid (PubChem CID 11335940) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-[4-(4-acetylphenyl)phenyl]-3-hydroxypentanoic acid.

Molecular Properties

Compound Name5-[4-(4-acetylphenyl)phenyl]-3-hydroxypentanoic acid
PubChem CID11335940
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name5-[4-(4-acetylphenyl)phenyl]-3-hydroxypentanoic acid
SMILESCC(=O)c1ccc(-c2ccc(CCC(O)CC(=O)O)cc2)cc1
InChIInChI=1S/C19H20O4/c1-13(20)15-7-9-17(10-8-15)16-5-2-14(3-6-16)4-11-18(21)12-19(22)23/h2-3,5-10,18,21H,4,11-12H2,1H3,(H,22,23)
InChIKeyQSVVRYPBRVSBDL-UHFFFAOYSA-N
XLogP3.32
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[4-(4-acetylphenyl)phenyl]-3-hydroxypentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-acetylphenyl)phenyl]-3-hydroxypentanoic acid?
The IUPAC name of 5-[4-(4-acetylphenyl)phenyl]-3-hydroxypentanoic acid (CID 11335940) is 5-[4-(4-acetylphenyl)phenyl]-3-hydroxypentanoic acid.
What is the SMILES notation for 5-[4-(4-acetylphenyl)phenyl]-3-hydroxypentanoic acid?
The canonical SMILES for 5-[4-(4-acetylphenyl)phenyl]-3-hydroxypentanoic acid is CC(=O)c1ccc(-c2ccc(CCC(O)CC(=O)O)cc2)cc1.
What is the InChIKey of 5-[4-(4-acetylphenyl)phenyl]-3-hydroxypentanoic acid?
The InChIKey is QSVVRYPBRVSBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-13(20)15-7-9-17(10-8-15)16-5-2-14(3-6-16)4-11-18(21)12-19(22)23/h2-3,5-10,18,21H,4,11-12H2,1H3,(H,22,23).
What are the key properties of 5-[4-(4-acetylphenyl)phenyl]-3-hydroxypentanoic acid?
5-[4-(4-acetylphenyl)phenyl]-3-hydroxypentanoic acid has a molecular weight of 312.37 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-acetylphenyl)phenyl]-3-hydroxypentanoic acid is sourced from PubChem (CID 11335940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).