cyclopropyl-(5-iodo-2-methoxyphenyl)methanone

C11H11IO2 — CID 43161691

IUPACcyclopropyl-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)C1CC1
InChIInChI=1S/C11H11IO2/c1-14-10-5-4-8(12)6-9(10)11(13)7-2-3-7/h4-7H,2-3H2,1H3
InChIKeyPTCVWZBNWLNUKF-UHFFFAOYSA-N
MW302.11 g/mol
LogP2.89
Rot. Bonds3

About cyclopropyl-(5-iodo-2-methoxyphenyl)methanone

cyclopropyl-(5-iodo-2-methoxyphenyl)methanone (PubChem CID 43161691) has the molecular formula C11H11IO2 and a molecular weight of 302.11 g/mol. Its IUPAC name is cyclopropyl-(5-iodo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Namecyclopropyl-(5-iodo-2-methoxyphenyl)methanone
PubChem CID43161691
Molecular FormulaC11H11IO2
Molecular Weight302.11 g/mol
Exact Mass301.98
IUPAC Namecyclopropyl-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)C1CC1
InChIInChI=1S/C11H11IO2/c1-14-10-5-4-8(12)6-9(10)11(13)7-2-3-7/h4-7H,2-3H2,1H3
InChIKeyPTCVWZBNWLNUKF-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 52.89
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

cyclobutyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161686
cyclopropyl-(5-iodo-2-propoxyphenyl)methanone
CID 82267286
(5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64866160
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
3,4-dihydro-2H-chromen-4-yl-(5-iodo-2-methoxyphenyl)methanone
CID 63709913
(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone
CID 65401520
(2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone
CID 65423286
cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone
CID 68924260
(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone
CID 82268057
4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one
CID 116920251
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5-iodo-2-methoxyphenyl)methanone?
The IUPAC name of cyclopropyl-(5-iodo-2-methoxyphenyl)methanone (CID 43161691) is cyclopropyl-(5-iodo-2-methoxyphenyl)methanone.
What is the SMILES notation for cyclopropyl-(5-iodo-2-methoxyphenyl)methanone?
The canonical SMILES for cyclopropyl-(5-iodo-2-methoxyphenyl)methanone is COc1ccc(I)cc1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-(5-iodo-2-methoxyphenyl)methanone?
The InChIKey is PTCVWZBNWLNUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IO2/c1-14-10-5-4-8(12)6-9(10)11(13)7-2-3-7/h4-7H,2-3H2,1H3.
What are the key properties of cyclopropyl-(5-iodo-2-methoxyphenyl)methanone?
cyclopropyl-(5-iodo-2-methoxyphenyl)methanone has a molecular weight of 302.11 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5-iodo-2-methoxyphenyl)methanone is sourced from PubChem (CID 43161691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).