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

C33H24O4 — CID 139037161

IUPAC[(2R,5R)-4-benzoyl-2-naphthalen-1-yl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1(C(=O)c2ccccc2)O[C@H](c2cccc3ccccc23)O[C@@H]1c1ccccc1
InChIInChI=1S/C33H24O4/c34-29(24-14-4-1-5-15-24)33(30(35)25-16-6-2-7-17-25)31(26-18-8-3-9-19-26)36-32(37-33)28-22-12-20-23-13-10-11-21-27(23)28/h1-22,31-32H/t31-,32-/m1/s1
InChIKeyWLSYXRPAYHYZAW-ROJLCIKYSA-N
MW484.55 g/mol
LogP7.13
Rot. Bonds6

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

[(2R,5R)-4-benzoyl-2-naphthalen-1-yl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone (PubChem CID 139037161) has the molecular formula C33H24O4 and a molecular weight of 484.55 g/mol. Its IUPAC name is [(2R,5R)-4-benzoyl-2-naphthalen-1-yl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R,5R)-4-benzoyl-2-naphthalen-1-yl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone
PubChem CID139037161
Molecular FormulaC33H24O4
Molecular Weight484.55 g/mol
Exact Mass484.17
IUPAC Name[(2R,5R)-4-benzoyl-2-naphthalen-1-yl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1(C(=O)c2ccccc2)O[C@H](c2cccc3ccccc23)O[C@@H]1c1ccccc1
InChIInChI=1S/C33H24O4/c34-29(24-14-4-1-5-15-24)33(30(35)25-16-6-2-7-17-25)31(26-18-8-3-9-19-26)36-32(37-33)28-22-12-20-23-13-10-11-21-27(23)28/h1-22,31-32H/t31-,32-/m1/s1
InChIKeyWLSYXRPAYHYZAW-ROJLCIKYSA-N
XLogP7.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [(2R,5R)-4-benzoyl-2-naphthalen-1-yl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone with MolForge

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Related Compounds

ethyl 2-benzoyl-3-phenyloxirane-2-carboxylate
CID 101480933
(2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone
CID 14343422
2,2-dimethyl-3-naphthalen-1-yloxirane
CID 116864134
(2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane
CID 101169290
2-naphthalen-1-yl-1,3-dioxole
CID 67839712
(4R,5S)-3-methylidene-4-naphthalen-1-yl-5-phenyloxolan-2-one
CID 162213218
(2,4-diphenyl-1,3-dioxolan-4-yl)-naphthalen-1-ylmethanone
CID 70620742
1-(2-acetyl-3-phenyloxiran-2-yl)ethanone
CID 75183920
[(2R,5R)-3,3,4,4-tetrafluoro-5-naphthalen-1-yloxolan-2-yl]methyl acetate
CID 46189613
(2R,3S)-2-(4-methoxybenzoyl)-3-phenyloxirane-2-carbonitrile
CID 51031994
diethyl (2R,4S,5R)-4-(4-methoxybenzoyl)-2,5-diphenyloxolane-3,3-dicarboxylate
CID 50942472
3,5-dinaphthalen-1-yl-1,4,2-dioxazole
CID 158958415

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-4-benzoyl-2-naphthalen-1-yl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone?
The IUPAC name of [(2R,5R)-4-benzoyl-2-naphthalen-1-yl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone (CID 139037161) is [(2R,5R)-4-benzoyl-2-naphthalen-1-yl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone.
What is the SMILES notation for [(2R,5R)-4-benzoyl-2-naphthalen-1-yl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone?
The canonical SMILES for [(2R,5R)-4-benzoyl-2-naphthalen-1-yl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone is O=C(c1ccccc1)C1(C(=O)c2ccccc2)O[C@H](c2cccc3ccccc23)O[C@@H]1c1ccccc1.
What is the InChIKey of [(2R,5R)-4-benzoyl-2-naphthalen-1-yl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone?
The InChIKey is WLSYXRPAYHYZAW-ROJLCIKYSA-N. The full InChI is InChI=1S/C33H24O4/c34-29(24-14-4-1-5-15-24)33(30(35)25-16-6-2-7-17-25)31(26-18-8-3-9-19-26)36-32(37-33)28-22-12-20-23-13-10-11-21-27(23)28/h1-22,31-32H/t31-,32-/m1/s1.
What are the key properties of [(2R,5R)-4-benzoyl-2-naphthalen-1-yl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone?
[(2R,5R)-4-benzoyl-2-naphthalen-1-yl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone has a molecular weight of 484.55 g/mol, XLogP of 7.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-4-benzoyl-2-naphthalen-1-yl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone is sourced from PubChem (CID 139037161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).