[(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone

C24H17FO5 — CID 25112566

IUPAC[(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1O[C@@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccc(F)cc2)O1
InChIInChI=1S/C24H17FO5/c25-18-13-11-17(12-14-18)20(27)23-22(19(26)15-7-3-1-4-8-15)29-24(30-23)21(28)16-9-5-2-6-10-16/h1-14,22-24H/t22-,23-,24-/m0/s1
InChIKeyQHSVPICQHLKIAI-HJOGWXRNSA-N
MW404.39 g/mol
LogP3.88
Rot. Bonds6

About [(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone

[(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone (PubChem CID 25112566) has the molecular formula C24H17FO5 and a molecular weight of 404.39 g/mol. Its IUPAC name is [(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone
PubChem CID25112566
Molecular FormulaC24H17FO5
Molecular Weight404.39 g/mol
Exact Mass404.11
IUPAC Name[(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1O[C@@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccc(F)cc2)O1
InChIInChI=1S/C24H17FO5/c25-18-13-11-17(12-14-18)20(27)23-22(19(26)15-7-3-1-4-8-15)29-24(30-23)21(28)16-9-5-2-6-10-16/h1-14,22-24H/t22-,23-,24-/m0/s1
InChIKeyQHSVPICQHLKIAI-HJOGWXRNSA-N
XLogP3.88
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-phenylmethanone
CID 161464622
(2S,3S)-3-benzoyloxirane-2-carboxamide
CID 22806306
(4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 57333501
[(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
2,2-dimethyl-1-phenylpropan-1-one;1-(4-fluorophenyl)-2,2-dimethylpropan-1-one
CID 158594816
4-benzoyl-1,3-dioxetan-2-one
CID 139798399
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
adamantane;(4-fluorophenyl)-phenylmethanone
CID 174728613
[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone
CID 101254811
[(2S,3R)-3-ethyloxiran-2-yl]-phenylmethanone
CID 10866861
(4-fluorophenyl)-[(2R,3S)-3-methyl-3-phenyloxiran-2-yl]methanone
CID 135068718

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone?
The IUPAC name of [(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone (CID 25112566) is [(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone.
What is the SMILES notation for [(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone?
The canonical SMILES for [(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone is O=C(c1ccccc1)[C@H]1O[C@@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccc(F)cc2)O1.
What is the InChIKey of [(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone?
The InChIKey is QHSVPICQHLKIAI-HJOGWXRNSA-N. The full InChI is InChI=1S/C24H17FO5/c25-18-13-11-17(12-14-18)20(27)23-22(19(26)15-7-3-1-4-8-15)29-24(30-23)21(28)16-9-5-2-6-10-16/h1-14,22-24H/t22-,23-,24-/m0/s1.
What are the key properties of [(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone?
[(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone has a molecular weight of 404.39 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone is sourced from PubChem (CID 25112566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).