(2,4-dibenzoyl-5-methyl-5-phenyloxolan-3-yl)-phenylmethanone

C32H26O4 — CID 571414

IUPAC(2,4-dibenzoyl-5-methyl-5-phenyloxolan-3-yl)-phenylmethanone
SMILESCC1(c2ccccc2)OC(C(=O)c2ccccc2)C(C(=O)c2ccccc2)C1C(=O)c1ccccc1
InChIInChI=1S/C32H26O4/c1-32(25-20-12-5-13-21-25)27(29(34)23-16-8-3-9-17-23)26(28(33)22-14-6-2-7-15-22)31(36-32)30(35)24-18-10-4-11-19-24/h2-21,26-27,31H,1H3
InChIKeyFPHRUXBUAYJBDL-UHFFFAOYSA-N
MW474.56 g/mol
LogP6.18
Rot. Bonds7

About (2,4-dibenzoyl-5-methyl-5-phenyloxolan-3-yl)-phenylmethanone

(2,4-dibenzoyl-5-methyl-5-phenyloxolan-3-yl)-phenylmethanone (PubChem CID 571414) has the molecular formula C32H26O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is (2,4-dibenzoyl-5-methyl-5-phenyloxolan-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,4-dibenzoyl-5-methyl-5-phenyloxolan-3-yl)-phenylmethanone
PubChem CID571414
Molecular FormulaC32H26O4
Molecular Weight474.56 g/mol
Exact Mass474.18
IUPAC Name(2,4-dibenzoyl-5-methyl-5-phenyloxolan-3-yl)-phenylmethanone
SMILESCC1(c2ccccc2)OC(C(=O)c2ccccc2)C(C(=O)c2ccccc2)C1C(=O)c1ccccc1
InChIInChI=1S/C32H26O4/c1-32(25-20-12-5-13-21-25)27(29(34)23-16-8-3-9-17-23)26(28(33)22-14-6-2-7-15-22)31(36-32)30(35)24-18-10-4-11-19-24/h2-21,26-27,31H,1H3
InChIKeyFPHRUXBUAYJBDL-UHFFFAOYSA-N
XLogP6.18
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(4R,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 12023939
(4-fluorophenyl)-[(2R,3S)-3-methyl-3-phenyloxiran-2-yl]methanone
CID 135068718
[(2R,3S)-3-methyl-3-phenyloxiran-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 135069666
[(4R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 134840498
[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone
CID 7019393
sodium 3-methyl-3-phenyloxirane-2-carboxylate
CID 23672387
[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone
CID 101254811
[(2S,3R)-3-ethyloxiran-2-yl]-phenylmethanone
CID 10866861
methyl (2R,3S)-3-benzoyl-2-phenyloxirane-2-carboxylate
CID 132961943
[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone
CID 135504692
phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 728561
[(2S)-1-benzyl-3,3-dimethylaziridin-2-yl]-phenylmethanone
CID 101178309

Frequently Asked Questions

What is the IUPAC name of (2,4-dibenzoyl-5-methyl-5-phenyloxolan-3-yl)-phenylmethanone?
The IUPAC name of (2,4-dibenzoyl-5-methyl-5-phenyloxolan-3-yl)-phenylmethanone (CID 571414) is (2,4-dibenzoyl-5-methyl-5-phenyloxolan-3-yl)-phenylmethanone.
What is the SMILES notation for (2,4-dibenzoyl-5-methyl-5-phenyloxolan-3-yl)-phenylmethanone?
The canonical SMILES for (2,4-dibenzoyl-5-methyl-5-phenyloxolan-3-yl)-phenylmethanone is CC1(c2ccccc2)OC(C(=O)c2ccccc2)C(C(=O)c2ccccc2)C1C(=O)c1ccccc1.
What is the InChIKey of (2,4-dibenzoyl-5-methyl-5-phenyloxolan-3-yl)-phenylmethanone?
The InChIKey is FPHRUXBUAYJBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O4/c1-32(25-20-12-5-13-21-25)27(29(34)23-16-8-3-9-17-23)26(28(33)22-14-6-2-7-15-22)31(36-32)30(35)24-18-10-4-11-19-24/h2-21,26-27,31H,1H3.
What are the key properties of (2,4-dibenzoyl-5-methyl-5-phenyloxolan-3-yl)-phenylmethanone?
(2,4-dibenzoyl-5-methyl-5-phenyloxolan-3-yl)-phenylmethanone has a molecular weight of 474.56 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibenzoyl-5-methyl-5-phenyloxolan-3-yl)-phenylmethanone is sourced from PubChem (CID 571414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).