4-hydroxy-6-oxo-4-phenacyl-6-phenylhexanoic acid

C20H20O5 — CID 175403925

IUPAC4-hydroxy-6-oxo-4-phenacyl-6-phenylhexanoic acid
SMILESO=C(O)CCC(O)(CC(=O)c1ccccc1)CC(=O)c1ccccc1
InChIInChI=1S/C20H20O5/c21-17(15-7-3-1-4-8-15)13-20(25,12-11-19(23)24)14-18(22)16-9-5-2-6-10-16/h1-10,25H,11-14H2,(H,23,24)
InChIKeyINTOZPTWERYEFX-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.13
Rot. Bonds9

About 4-hydroxy-6-oxo-4-phenacyl-6-phenylhexanoic acid

4-hydroxy-6-oxo-4-phenacyl-6-phenylhexanoic acid (PubChem CID 175403925) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-hydroxy-6-oxo-4-phenacyl-6-phenylhexanoic acid.

Molecular Properties

Compound Name4-hydroxy-6-oxo-4-phenacyl-6-phenylhexanoic acid
PubChem CID175403925
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name4-hydroxy-6-oxo-4-phenacyl-6-phenylhexanoic acid
SMILESO=C(O)CCC(O)(CC(=O)c1ccccc1)CC(=O)c1ccccc1
InChIInChI=1S/C20H20O5/c21-17(15-7-3-1-4-8-15)13-20(25,12-11-19(23)24)14-18(22)16-9-5-2-6-10-16/h1-10,25H,11-14H2,(H,23,24)
InChIKeyINTOZPTWERYEFX-UHFFFAOYSA-N
XLogP3.13
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dihydroxy-1-phenylpentan-1-one
CID 163432539
3-amino-3-hydroxy-1-phenylbutan-1-one
CID 141444107
4-(2-carboxyethyl)-4-[(4-oxo-4-phenylbutanoyl)amino]heptanedioic acid
CID 118885779
4-hydroxy-1,4-diphenylpentan-1-one
CID 10634707
3,3-dibromo-1,3-diphenylpropan-1-one
CID 175272967
2-bromo-2,3-dihydroxy-3-phenacylbutanedioic acid
CID 150599938
3,3-diphenylhexanedioic acid
CID 10469968
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
diphenylmethanone;gold
CID 174931146
3-oxo-3-phenylpropanoic acid;silver
CID 87120895
1,15-diphenylpentadecane-1,15-dione
CID 159981687

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-oxo-4-phenacyl-6-phenylhexanoic acid?
The IUPAC name of 4-hydroxy-6-oxo-4-phenacyl-6-phenylhexanoic acid (CID 175403925) is 4-hydroxy-6-oxo-4-phenacyl-6-phenylhexanoic acid.
What is the SMILES notation for 4-hydroxy-6-oxo-4-phenacyl-6-phenylhexanoic acid?
The canonical SMILES for 4-hydroxy-6-oxo-4-phenacyl-6-phenylhexanoic acid is O=C(O)CCC(O)(CC(=O)c1ccccc1)CC(=O)c1ccccc1.
What is the InChIKey of 4-hydroxy-6-oxo-4-phenacyl-6-phenylhexanoic acid?
The InChIKey is INTOZPTWERYEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c21-17(15-7-3-1-4-8-15)13-20(25,12-11-19(23)24)14-18(22)16-9-5-2-6-10-16/h1-10,25H,11-14H2,(H,23,24).
What are the key properties of 4-hydroxy-6-oxo-4-phenacyl-6-phenylhexanoic acid?
4-hydroxy-6-oxo-4-phenacyl-6-phenylhexanoic acid has a molecular weight of 340.38 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-oxo-4-phenacyl-6-phenylhexanoic acid is sourced from PubChem (CID 175403925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).