(3-benzoylphenyl)-phenylmethanone;ethane

C26H32O2 — CID 145125865

IUPAC(3-benzoylphenyl)-phenylmethanone;ethane
SMILESCC.CC.CC.O=C(c1ccccc1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C20H14O2.3C2H6/c21-19(15-8-3-1-4-9-15)17-12-7-13-18(14-17)20(22)16-10-5-2-6-11-16;3*1-2/h1-14H;3*1-2H3
InChIKeyCQYSBSQSPMAZSN-UHFFFAOYSA-N
MW376.54 g/mol
LogP7.23
Rot. Bonds4

About (3-benzoylphenyl)-phenylmethanone;ethane

(3-benzoylphenyl)-phenylmethanone;ethane (PubChem CID 145125865) has the molecular formula C26H32O2 and a molecular weight of 376.54 g/mol. Its IUPAC name is (3-benzoylphenyl)-phenylmethanone;ethane.

Molecular Properties

Compound Name(3-benzoylphenyl)-phenylmethanone;ethane
PubChem CID145125865
Molecular FormulaC26H32O2
Molecular Weight376.54 g/mol
Exact Mass376.24
IUPAC Name(3-benzoylphenyl)-phenylmethanone;ethane
SMILESCC.CC.CC.O=C(c1ccccc1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C20H14O2.3C2H6/c21-19(15-8-3-1-4-9-15)17-12-7-13-18(14-17)20(22)16-10-5-2-6-11-16;3*1-2/h1-14H;3*1-2H3
InChIKeyCQYSBSQSPMAZSN-UHFFFAOYSA-N
XLogP7.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

diphenylmethanone;ethane
CID 158014879
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
diphenylmethanone
CID 3102
4-[3-(4-carboxybenzoyl)benzoyl]benzoic acid
CID 22561490
3-(3-carboxybenzoyl)benzoic acid
CID 754396
1-(3-benzoylphenyl)-2-methylprop-2-en-1-one
CID 173413360
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;ethane;toluene
CID 157406780
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275

Frequently Asked Questions

What is the IUPAC name of (3-benzoylphenyl)-phenylmethanone;ethane?
The IUPAC name of (3-benzoylphenyl)-phenylmethanone;ethane (CID 145125865) is (3-benzoylphenyl)-phenylmethanone;ethane.
What is the SMILES notation for (3-benzoylphenyl)-phenylmethanone;ethane?
The canonical SMILES for (3-benzoylphenyl)-phenylmethanone;ethane is CC.CC.CC.O=C(c1ccccc1)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of (3-benzoylphenyl)-phenylmethanone;ethane?
The InChIKey is CQYSBSQSPMAZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2.3C2H6/c21-19(15-8-3-1-4-9-15)17-12-7-13-18(14-17)20(22)16-10-5-2-6-11-16;3*1-2/h1-14H;3*1-2H3.
What are the key properties of (3-benzoylphenyl)-phenylmethanone;ethane?
(3-benzoylphenyl)-phenylmethanone;ethane has a molecular weight of 376.54 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoylphenyl)-phenylmethanone;ethane is sourced from PubChem (CID 145125865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).