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

C12H13IO2 — CID 43161686

IUPACcyclobutyl-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)C1CCC1
InChIInChI=1S/C12H13IO2/c1-15-11-6-5-9(13)7-10(11)12(14)8-3-2-4-8/h5-8H,2-4H2,1H3
InChIKeySYJPZWUUSBWTCS-UHFFFAOYSA-N
MW316.14 g/mol
LogP3.28
Rot. Bonds3

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

cyclobutyl-(5-iodo-2-methoxyphenyl)methanone (PubChem CID 43161686) has the molecular formula C12H13IO2 and a molecular weight of 316.14 g/mol. Its IUPAC name is cyclobutyl-(5-iodo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Namecyclobutyl-(5-iodo-2-methoxyphenyl)methanone
PubChem CID43161686
Molecular FormulaC12H13IO2
Molecular Weight316.14 g/mol
Exact Mass316.00
IUPAC Namecyclobutyl-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)C1CCC1
InChIInChI=1S/C12H13IO2/c1-15-11-6-5-9(13)7-10(11)12(14)8-3-2-4-8/h5-8H,2-4H2,1H3
InChIKeySYJPZWUUSBWTCS-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 53.28
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

cyclopropyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161691
(5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64866160
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone
CID 68924260
cyclopropyl-(5-iodo-2-propoxyphenyl)methanone
CID 82267286
(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone
CID 62795415
cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82049372
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
3,4-dihydro-2H-chromen-4-yl-(5-iodo-2-methoxyphenyl)methanone
CID 63709913
cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone
CID 82647770

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(5-iodo-2-methoxyphenyl)methanone?
The IUPAC name of cyclobutyl-(5-iodo-2-methoxyphenyl)methanone (CID 43161686) is cyclobutyl-(5-iodo-2-methoxyphenyl)methanone.
What is the SMILES notation for cyclobutyl-(5-iodo-2-methoxyphenyl)methanone?
The canonical SMILES for cyclobutyl-(5-iodo-2-methoxyphenyl)methanone is COc1ccc(I)cc1C(=O)C1CCC1.
What is the InChIKey of cyclobutyl-(5-iodo-2-methoxyphenyl)methanone?
The InChIKey is SYJPZWUUSBWTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IO2/c1-15-11-6-5-9(13)7-10(11)12(14)8-3-2-4-8/h5-8H,2-4H2,1H3.
What are the key properties of cyclobutyl-(5-iodo-2-methoxyphenyl)methanone?
cyclobutyl-(5-iodo-2-methoxyphenyl)methanone has a molecular weight of 316.14 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(5-iodo-2-methoxyphenyl)methanone is sourced from PubChem (CID 43161686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).