diphenylmethanone;ethane;toluene

C26H36O — CID 157406780

IUPACdiphenylmethanone;ethane;toluene
SMILESCC.CC.CC.Cc1ccccc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C7H8.3C2H6/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-7-5-3-2-4-6-7;3*1-2/h1-10H;2-6H,1H3;3*1-2H3
InChIKeyBNURCWRVCCEIID-UHFFFAOYSA-N
MW364.57 g/mol
LogP7.99
Rot. Bonds2

About diphenylmethanone;ethane;toluene

diphenylmethanone;ethane;toluene (PubChem CID 157406780) has the molecular formula C26H36O and a molecular weight of 364.57 g/mol. Its IUPAC name is diphenylmethanone;ethane;toluene.

Molecular Properties

Compound Namediphenylmethanone;ethane;toluene
PubChem CID157406780
Molecular FormulaC26H36O
Molecular Weight364.57 g/mol
Exact Mass364.28
IUPAC Namediphenylmethanone;ethane;toluene
SMILESCC.CC.CC.Cc1ccccc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C7H8.3C2H6/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-7-5-3-2-4-6-7;3*1-2/h1-10H;2-6H,1H3;3*1-2H3
InChIKeyBNURCWRVCCEIID-UHFFFAOYSA-N
XLogP7.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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diphenylmethanone
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disodium;diphenylmethanone
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cobalt(2+);diphenylmethanone
CID 19033779
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bis(diphenylmethanone);dihydrochloride
CID 69107757
[4-(4-methylbenzenecarbothioyl)phenyl]-phenylmethanone
CID 151070047
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
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CID 91498275

Frequently Asked Questions

What is the IUPAC name of diphenylmethanone;ethane;toluene?
The IUPAC name of diphenylmethanone;ethane;toluene (CID 157406780) is diphenylmethanone;ethane;toluene.
What is the SMILES notation for diphenylmethanone;ethane;toluene?
The canonical SMILES for diphenylmethanone;ethane;toluene is CC.CC.CC.Cc1ccccc1.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanone;ethane;toluene?
The InChIKey is BNURCWRVCCEIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C7H8.3C2H6/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-7-5-3-2-4-6-7;3*1-2/h1-10H;2-6H,1H3;3*1-2H3.
What are the key properties of diphenylmethanone;ethane;toluene?
diphenylmethanone;ethane;toluene has a molecular weight of 364.57 g/mol, XLogP of 7.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanone;ethane;toluene is sourced from PubChem (CID 157406780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).