2-hydroxy-1,2-diphenylethanone;nonan-5-one

C23H30O3 — CID 69310835

IUPAC2-hydroxy-1,2-diphenylethanone;nonan-5-one
SMILESCCCCC(=O)CCCC.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H12O2.C9H18O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-5-7-9(10)8-6-4-2/h1-10,13,15H;3-8H2,1-2H3
InChIKeyGUXAYAIFWCWAAD-UHFFFAOYSA-N
MW354.49 g/mol
LogP5.54
Rot. Bonds9

About 2-hydroxy-1,2-diphenylethanone;nonan-5-one

2-hydroxy-1,2-diphenylethanone;nonan-5-one (PubChem CID 69310835) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-hydroxy-1,2-diphenylethanone;nonan-5-one.

Molecular Properties

Compound Name2-hydroxy-1,2-diphenylethanone;nonan-5-one
PubChem CID69310835
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name2-hydroxy-1,2-diphenylethanone;nonan-5-one
SMILESCCCCC(=O)CCCC.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H12O2.C9H18O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-5-7-9(10)8-6-4-2/h1-10,13,15H;3-8H2,1-2H3
InChIKeyGUXAYAIFWCWAAD-UHFFFAOYSA-N
XLogP5.54
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.54
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
2-hexylbenzenethiol;2-hydroxy-1,2-diphenylethanone
CID 70611989
2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one
CID 174848942
hexyl carbamate;2-hydroxy-1,2-diphenylethanone
CID 138541446
dodecane-1-sulfonic acid;2-hydroxy-1,2-diphenylethanone
CID 157232033
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
ethoxymethanol;2-hydroxy-1,2-diphenylethanone
CID 69429454
2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone
CID 159551981
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276
butyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane
CID 174584403

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2-diphenylethanone;nonan-5-one?
The IUPAC name of 2-hydroxy-1,2-diphenylethanone;nonan-5-one (CID 69310835) is 2-hydroxy-1,2-diphenylethanone;nonan-5-one.
What is the SMILES notation for 2-hydroxy-1,2-diphenylethanone;nonan-5-one?
The canonical SMILES for 2-hydroxy-1,2-diphenylethanone;nonan-5-one is CCCCC(=O)CCCC.O=C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-1,2-diphenylethanone;nonan-5-one?
The InChIKey is GUXAYAIFWCWAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C9H18O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-5-7-9(10)8-6-4-2/h1-10,13,15H;3-8H2,1-2H3.
What are the key properties of 2-hydroxy-1,2-diphenylethanone;nonan-5-one?
2-hydroxy-1,2-diphenylethanone;nonan-5-one has a molecular weight of 354.49 g/mol, XLogP of 5.54, 9 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;nonan-5-one is sourced from PubChem (CID 69310835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).