(2,2-dimethylcyclopropyl)-(4-iodophenyl)methanone

C12H13IO — CID 107000656

IUPAC(2,2-dimethylcyclopropyl)-(4-iodophenyl)methanone
SMILESCC1(C)CC1C(=O)c1ccc(I)cc1
InChIInChI=1S/C12H13IO/c1-12(2)7-10(12)11(14)8-3-5-9(13)6-4-8/h3-6,10H,7H2,1-2H3
InChIKeyFZUQMOLEWUNBTP-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.52
Rot. Bonds2

About (2,2-dimethylcyclopropyl)-(4-iodophenyl)methanone

(2,2-dimethylcyclopropyl)-(4-iodophenyl)methanone (PubChem CID 107000656) has the molecular formula C12H13IO and a molecular weight of 300.14 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(4-iodophenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(4-iodophenyl)methanone
PubChem CID107000656
Molecular FormulaC12H13IO
Molecular Weight300.14 g/mol
Exact Mass300.00
IUPAC Name(2,2-dimethylcyclopropyl)-(4-iodophenyl)methanone
SMILESCC1(C)CC1C(=O)c1ccc(I)cc1
InChIInChI=1S/C12H13IO/c1-12(2)7-10(12)11(14)8-3-5-9(13)6-4-8/h3-6,10H,7H2,1-2H3
InChIKeyFZUQMOLEWUNBTP-UHFFFAOYSA-N
XLogP3.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(4-iodophenyl)methanone?
The IUPAC name of (2,2-dimethylcyclopropyl)-(4-iodophenyl)methanone (CID 107000656) is (2,2-dimethylcyclopropyl)-(4-iodophenyl)methanone.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(4-iodophenyl)methanone?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(4-iodophenyl)methanone is CC1(C)CC1C(=O)c1ccc(I)cc1.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(4-iodophenyl)methanone?
The InChIKey is FZUQMOLEWUNBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IO/c1-12(2)7-10(12)11(14)8-3-5-9(13)6-4-8/h3-6,10H,7H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(4-iodophenyl)methanone?
(2,2-dimethylcyclopropyl)-(4-iodophenyl)methanone has a molecular weight of 300.14 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(4-iodophenyl)methanone is sourced from PubChem (CID 107000656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).