cycloheptyl-(2-iodophenyl)methanone

C14H17IO — CID 115794862

IUPACcycloheptyl-(2-iodophenyl)methanone
SMILESO=C(c1ccccc1I)C1CCCCCC1
InChIInChI=1S/C14H17IO/c15-13-10-6-5-9-12(13)14(16)11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2
InChIKeySPNXTPHNDRSCCW-UHFFFAOYSA-N
MW328.19 g/mol
LogP4.44
Rot. Bonds2

About cycloheptyl-(2-iodophenyl)methanone

cycloheptyl-(2-iodophenyl)methanone (PubChem CID 115794862) has the molecular formula C14H17IO and a molecular weight of 328.19 g/mol. Its IUPAC name is cycloheptyl-(2-iodophenyl)methanone.

Molecular Properties

Compound Namecycloheptyl-(2-iodophenyl)methanone
PubChem CID115794862
Molecular FormulaC14H17IO
Molecular Weight328.19 g/mol
Exact Mass328.03
IUPAC Namecycloheptyl-(2-iodophenyl)methanone
SMILESO=C(c1ccccc1I)C1CCCCCC1
InChIInChI=1S/C14H17IO/c15-13-10-6-5-9-12(13)14(16)11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2
InChIKeySPNXTPHNDRSCCW-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclooctyl-(2-methylphenyl)methanone
CID 80602643
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
cyclohexyl-(2-propan-2-ylphenyl)methanone
CID 146007151
cycloheptyl-(2-methylsulfanylphenyl)methanone
CID 115794815
cyclohexyl-(2-nitrophenyl)methanone
CID 82116139
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
2-cyclopropyl-1-(2-iodophenyl)ethanone
CID 114974685
[2-(4-chlorophenyl)phenyl]-cyclohexylmethanone
CID 58080078
N-(cyclohexylmethyl)-2-iodobenzamide
CID 2677280
cyclohexyl-(2-phenyldiazenylphenyl)methanone
CID 134844297
(3-chloro-2-methylphenyl)-cycloheptylmethanone
CID 107101795
cyclopropyl-(2-hydroxyphenyl)methanone
CID 14638095

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(2-iodophenyl)methanone?
The IUPAC name of cycloheptyl-(2-iodophenyl)methanone (CID 115794862) is cycloheptyl-(2-iodophenyl)methanone.
What is the SMILES notation for cycloheptyl-(2-iodophenyl)methanone?
The canonical SMILES for cycloheptyl-(2-iodophenyl)methanone is O=C(c1ccccc1I)C1CCCCCC1.
What is the InChIKey of cycloheptyl-(2-iodophenyl)methanone?
The InChIKey is SPNXTPHNDRSCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IO/c15-13-10-6-5-9-12(13)14(16)11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2.
What are the key properties of cycloheptyl-(2-iodophenyl)methanone?
cycloheptyl-(2-iodophenyl)methanone has a molecular weight of 328.19 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(2-iodophenyl)methanone is sourced from PubChem (CID 115794862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).