2-hydroxy-1,2-diphenylethanone

C42H36O6 — CID 159399559

IUPAC2-hydroxy-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/3C14H12O2/c3*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h3*1-10,13,15H
InChIKeyLNDXNFNZMKQXGI-UHFFFAOYSA-N
MW636.74 g/mol
LogP7.81
Rot. Bonds9

About 2-hydroxy-1,2-diphenylethanone

2-hydroxy-1,2-diphenylethanone (PubChem CID 159399559) has the molecular formula C42H36O6 and a molecular weight of 636.74 g/mol. Its IUPAC name is 2-hydroxy-1,2-diphenylethanone.

Molecular Properties

Compound Name2-hydroxy-1,2-diphenylethanone
PubChem CID159399559
Molecular FormulaC42H36O6
Molecular Weight636.74 g/mol
Exact Mass636.25
IUPAC Name2-hydroxy-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/3C14H12O2/c3*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h3*1-10,13,15H
InChIKeyLNDXNFNZMKQXGI-UHFFFAOYSA-N
XLogP7.81
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.74
LogP ≤ 57.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276
2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
CID 57368066
2-hydroxy-1,2-diphenylethanone;propanoic acid
CID 159329247
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084
2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one
CID 174848942
benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone
CID 87963505
acetaldehyde;2-hydroxy-1,2-diphenylethanone;(2S)-2-hydroxy-1,2-diphenylethanone;(2R)-2-hydroxy-1-phenylpropan-1-one;methane
CID 159381131
ethoxymethanol;2-hydroxy-1,2-diphenylethanone
CID 69429454
2-hydroxy-1,2-diphenylethanone;nonan-5-one
CID 69310835
cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone
CID 175464562

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2-diphenylethanone?
The IUPAC name of 2-hydroxy-1,2-diphenylethanone (CID 159399559) is 2-hydroxy-1,2-diphenylethanone.
What is the SMILES notation for 2-hydroxy-1,2-diphenylethanone?
The canonical SMILES for 2-hydroxy-1,2-diphenylethanone is O=C(c1ccccc1)C(O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-1,2-diphenylethanone?
The InChIKey is LNDXNFNZMKQXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H12O2/c3*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h3*1-10,13,15H.
What are the key properties of 2-hydroxy-1,2-diphenylethanone?
2-hydroxy-1,2-diphenylethanone has a molecular weight of 636.74 g/mol, XLogP of 7.81, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,2-diphenylethanone is sourced from PubChem (CID 159399559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).