1,2-diphenylethanone

C14H12O — CID 9948

IUPAC1,2-diphenylethanone
SMILESO=C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyOTKCEEWUXHVZQI-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.11
Rot. Bonds3

About 1,2-diphenylethanone

1,2-diphenylethanone (PubChem CID 9948) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1,2-diphenylethanone.

Molecular Properties

Compound Name1,2-diphenylethanone
PubChem CID9948
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name1,2-diphenylethanone
SMILESO=C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyOTKCEEWUXHVZQI-UHFFFAOYSA-N
XLogP3.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-Naphthoquinone
CID 8530
Benzophenone
CID 3102
Menadione
CID 4055
Acetophenone
CID 7410
Anthraquinone
CID 6780
1,2-Naphthoquinone
CID 10667
Menatetrenone
CID 5282367
Phenindione
CID 4760
9,10-Phenanthrenedione
CID 6763
1-Phenyl-1-propanone
CID 7148
Anthrone
CID 7018
Chalcone
CID 637760

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethanone?
The IUPAC name of 1,2-diphenylethanone (CID 9948) is 1,2-diphenylethanone.
What is the SMILES notation for 1,2-diphenylethanone?
The canonical SMILES for 1,2-diphenylethanone is O=C(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenylethanone?
The InChIKey is OTKCEEWUXHVZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2.
What are the key properties of 1,2-diphenylethanone?
1,2-diphenylethanone has a molecular weight of 196.25 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethanone is sourced from PubChem (CID 9948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).