2-hydroxy-1,2-diphenylethanone;propanoic acid

C17H18O4 — CID 159329247

IUPAC2-hydroxy-1,2-diphenylethanone;propanoic acid
SMILESCCC(=O)O.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H12O2.C3H6O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-2-3(4)5/h1-10,13,15H;2H2,1H3,(H,4,5)
InChIKeyLETMOBLWEYQUNA-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.08
Rot. Bonds4

About 2-hydroxy-1,2-diphenylethanone;propanoic acid

2-hydroxy-1,2-diphenylethanone;propanoic acid (PubChem CID 159329247) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-hydroxy-1,2-diphenylethanone;propanoic acid.

Molecular Properties

Compound Name2-hydroxy-1,2-diphenylethanone;propanoic acid
PubChem CID159329247
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-hydroxy-1,2-diphenylethanone;propanoic acid
SMILESCCC(=O)O.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H12O2.C3H6O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-2-3(4)5/h1-10,13,15H;2H2,1H3,(H,4,5)
InChIKeyLETMOBLWEYQUNA-UHFFFAOYSA-N
XLogP3.08
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one
CID 174848942
2-hydroxy-1,2-diphenylethanone
CID 159399559
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
ethoxymethanol;2-hydroxy-1,2-diphenylethanone
CID 69429454
2-hydroxy-1,2-diphenylethanone;nonan-5-one
CID 69310835
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084
2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone
CID 159551981
2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
CID 57368066
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-hydroxy-1,2-diphenylethanone
CID 88633467
acetaldehyde;2-hydroxy-1,2-diphenylethanone;(2S)-2-hydroxy-1,2-diphenylethanone;(2R)-2-hydroxy-1-phenylpropan-1-one;methane
CID 159381131

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2-diphenylethanone;propanoic acid?
The IUPAC name of 2-hydroxy-1,2-diphenylethanone;propanoic acid (CID 159329247) is 2-hydroxy-1,2-diphenylethanone;propanoic acid.
What is the SMILES notation for 2-hydroxy-1,2-diphenylethanone;propanoic acid?
The canonical SMILES for 2-hydroxy-1,2-diphenylethanone;propanoic acid is CCC(=O)O.O=C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-1,2-diphenylethanone;propanoic acid?
The InChIKey is LETMOBLWEYQUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C3H6O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-2-3(4)5/h1-10,13,15H;2H2,1H3,(H,4,5).
What are the key properties of 2-hydroxy-1,2-diphenylethanone;propanoic acid?
2-hydroxy-1,2-diphenylethanone;propanoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,2-diphenylethanone;propanoic acid is sourced from PubChem (CID 159329247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).