(3-benzoyl-5-iodophenyl)-phenylmethanone

C20H13IO2 — CID 126685146

IUPAC(3-benzoyl-5-iodophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(I)cc(C(=O)c2ccccc2)c1
InChIInChI=1S/C20H13IO2/c21-18-12-16(19(22)14-7-3-1-4-8-14)11-17(13-18)20(23)15-9-5-2-6-10-15/h1-13H
InChIKeyVZUHYLVSRJJOGL-UHFFFAOYSA-N
MW412.23 g/mol
LogP4.75
Rot. Bonds4

About (3-benzoyl-5-iodophenyl)-phenylmethanone

(3-benzoyl-5-iodophenyl)-phenylmethanone (PubChem CID 126685146) has the molecular formula C20H13IO2 and a molecular weight of 412.23 g/mol. Its IUPAC name is (3-benzoyl-5-iodophenyl)-phenylmethanone.

Molecular Properties

Compound Name(3-benzoyl-5-iodophenyl)-phenylmethanone
PubChem CID126685146
Molecular FormulaC20H13IO2
Molecular Weight412.23 g/mol
Exact Mass412.00
IUPAC Name(3-benzoyl-5-iodophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(I)cc(C(=O)c2ccccc2)c1
InChIInChI=1S/C20H13IO2/c21-18-12-16(19(22)14-7-3-1-4-8-14)11-17(13-18)20(23)15-9-5-2-6-10-15/h1-13H
InChIKeyVZUHYLVSRJJOGL-UHFFFAOYSA-N
XLogP4.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.23
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

diphenylmethanone
CID 3102
diphenylmethanone;gold
CID 174931146
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
bis(diphenylmethanone);dihydrochloride
CID 69107757
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;ethane
CID 158014879
anthracene;diphenylmethanone
CID 87408663
(3-benzoyl-5-benzylphenyl)-phenylmethanone
CID 13496348
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243

Frequently Asked Questions

What is the IUPAC name of (3-benzoyl-5-iodophenyl)-phenylmethanone?
The IUPAC name of (3-benzoyl-5-iodophenyl)-phenylmethanone (CID 126685146) is (3-benzoyl-5-iodophenyl)-phenylmethanone.
What is the SMILES notation for (3-benzoyl-5-iodophenyl)-phenylmethanone?
The canonical SMILES for (3-benzoyl-5-iodophenyl)-phenylmethanone is O=C(c1ccccc1)c1cc(I)cc(C(=O)c2ccccc2)c1.
What is the InChIKey of (3-benzoyl-5-iodophenyl)-phenylmethanone?
The InChIKey is VZUHYLVSRJJOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13IO2/c21-18-12-16(19(22)14-7-3-1-4-8-14)11-17(13-18)20(23)15-9-5-2-6-10-15/h1-13H.
What are the key properties of (3-benzoyl-5-iodophenyl)-phenylmethanone?
(3-benzoyl-5-iodophenyl)-phenylmethanone has a molecular weight of 412.23 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoyl-5-iodophenyl)-phenylmethanone is sourced from PubChem (CID 126685146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).