[2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone

C17H19IO — CID 142740893

IUPAC[2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone
SMILESCCI(CC)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H19IO/c1-3-18(4-2)16-13-9-8-12-15(16)17(19)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3
InChIKeyWWTYPGLFIQLNCP-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.63
Rot. Bonds5

About [2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone

[2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone (PubChem CID 142740893) has the molecular formula C17H19IO and a molecular weight of 366.24 g/mol. Its IUPAC name is [2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone
PubChem CID142740893
Molecular FormulaC17H19IO
Molecular Weight366.24 g/mol
Exact Mass366.05
IUPAC Name[2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone
SMILESCCI(CC)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H19IO/c1-3-18(4-2)16-13-9-8-12-15(16)17(19)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3
InChIKeyWWTYPGLFIQLNCP-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one
CID 175125540
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
[2,3-di(butan-2-yl)phenyl]-phenylmethanone
CID 67337548
(2-benzoylphenyl)-oxo-propan-2-ylphosphanium
CID 175014357
1-aminopropan-2-one;(2-methylphenyl)-phenylmethanone
CID 143285715
diphenylmethanone;ethane
CID 158014879
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
diphenylmethanone
CID 3102
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295

Frequently Asked Questions

What is the IUPAC name of [2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone?
The IUPAC name of [2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone (CID 142740893) is [2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone is CCI(CC)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone?
The InChIKey is WWTYPGLFIQLNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IO/c1-3-18(4-2)16-13-9-8-12-15(16)17(19)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3.
What are the key properties of [2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone?
[2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone has a molecular weight of 366.24 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone is sourced from PubChem (CID 142740893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).