2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one

C23H22O3 — CID 174848942

IUPAC2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one
SMILESCCC(=O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H12O2.C9H10O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-2-9(10)8-6-4-3-5-7-8/h1-10,13,15H;3-7H,2H2,1H3
InChIKeyBUVDWTRUQZLGOJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.88
Rot. Bonds5

About 2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one

2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one (PubChem CID 174848942) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one
PubChem CID174848942
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one
SMILESCCC(=O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H12O2.C9H10O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-2-9(10)8-6-4-3-5-7-8/h1-10,13,15H;3-7H,2H2,1H3
InChIKeyBUVDWTRUQZLGOJ-UHFFFAOYSA-N
XLogP4.88
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1,2-diphenylethanone;propanoic acid
CID 159329247
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
1-phenyl(111C)propan-1-one
CID 11159350
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055
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-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one
CID 174950193

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one?
The IUPAC name of 2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one (CID 174848942) is 2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one?
The canonical SMILES for 2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one is CCC(=O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one?
The InChIKey is BUVDWTRUQZLGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C9H10O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-2-9(10)8-6-4-3-5-7-8/h1-10,13,15H;3-7H,2H2,1H3.
What are the key properties of 2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one?
2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one has a molecular weight of 346.43 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one is sourced from PubChem (CID 174848942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).