(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane

C30H44O3 — CID 91498275

IUPAC(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
SMILESCC.CC.CC.CC.COC.O=C(c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H14O2.C2H6O.4C2H6/c21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22)16-9-5-2-6-10-16;1-3-2;4*1-2/h1-14H;1-2H3;4*1-2H3
InChIKeyVSQJCTFWDIAWPG-UHFFFAOYSA-N
MW452.68 g/mol
LogP8.52
Rot. Bonds4

About (4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane

(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane (PubChem CID 91498275) has the molecular formula C30H44O3 and a molecular weight of 452.68 g/mol. Its IUPAC name is (4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane.

Molecular Properties

Compound Name(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
PubChem CID91498275
Molecular FormulaC30H44O3
Molecular Weight452.68 g/mol
Exact Mass452.33
IUPAC Name(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
SMILESCC.CC.CC.CC.COC.O=C(c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H14O2.C2H6O.4C2H6/c21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22)16-9-5-2-6-10-16;1-3-2;4*1-2/h1-14H;1-2H3;4*1-2H3
InChIKeyVSQJCTFWDIAWPG-UHFFFAOYSA-N
XLogP8.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.68
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)
CID 160674424
diphenylmethanone;ethane
CID 158014879
benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one)
CID 157064621
diphenylmethanone
CID 3102
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
diphenylmethanone;ethane;toluene
CID 157406780
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane?
The IUPAC name of (4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane (CID 91498275) is (4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane.
What is the SMILES notation for (4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane?
The canonical SMILES for (4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane is CC.CC.CC.CC.COC.O=C(c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane?
The InChIKey is VSQJCTFWDIAWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2.C2H6O.4C2H6/c21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22)16-9-5-2-6-10-16;1-3-2;4*1-2/h1-14H;1-2H3;4*1-2H3.
What are the key properties of (4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane?
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane has a molecular weight of 452.68 g/mol, XLogP of 8.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane is sourced from PubChem (CID 91498275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).