cyclobutyl-(2-iodophenyl)methanol

C11H13IO — CID 115837930

IUPACcyclobutyl-(2-iodophenyl)methanol
SMILESOC(c1ccccc1I)C1CCC1
InChIInChI=1S/C11H13IO/c12-10-7-2-1-6-9(10)11(13)8-4-3-5-8/h1-2,6-8,11,13H,3-5H2
InChIKeyWRNJOHFLYIFQJE-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.12
Rot. Bonds2

About cyclobutyl-(2-iodophenyl)methanol

cyclobutyl-(2-iodophenyl)methanol (PubChem CID 115837930) has the molecular formula C11H13IO and a molecular weight of 288.13 g/mol. Its IUPAC name is cyclobutyl-(2-iodophenyl)methanol.

Molecular Properties

Compound Namecyclobutyl-(2-iodophenyl)methanol
PubChem CID115837930
Molecular FormulaC11H13IO
Molecular Weight288.13 g/mol
Exact Mass288.00
IUPAC Namecyclobutyl-(2-iodophenyl)methanol
SMILESOC(c1ccccc1I)C1CCC1
InChIInChI=1S/C11H13IO/c12-10-7-2-1-6-9(10)11(13)8-4-3-5-8/h1-2,6-8,11,13H,3-5H2
InChIKeyWRNJOHFLYIFQJE-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-2-amino-1-cyclobutyl-2-(2-iodophenyl)ethanol
CID 171269906
(3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol
CID 115806226
(R)-cyclopentyl-(2-methylphenyl)methanol
CID 93312335
(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160
(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823060
cycloheptyl-(2-iodophenyl)methanamine
CID 105027819
cyclohexyl-(2-iodophenyl)methanamine
CID 112630996
cyclobutyl-(2,3-dichlorophenyl)methanol
CID 64986948
cyclopropyl-(2-iodophenyl)methanamine
CID 112684977
cyclohexyl-[2-(trifluoromethyl)phenyl]methanol
CID 62801472
(4-chloronaphthalen-1-yl)-cyclobutylmethanol
CID 79597390
(R)-cyclopentyl-(2-diphenylphosphanylphenyl)methanol
CID 58606850

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2-iodophenyl)methanol?
The IUPAC name of cyclobutyl-(2-iodophenyl)methanol (CID 115837930) is cyclobutyl-(2-iodophenyl)methanol.
What is the SMILES notation for cyclobutyl-(2-iodophenyl)methanol?
The canonical SMILES for cyclobutyl-(2-iodophenyl)methanol is OC(c1ccccc1I)C1CCC1.
What is the InChIKey of cyclobutyl-(2-iodophenyl)methanol?
The InChIKey is WRNJOHFLYIFQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO/c12-10-7-2-1-6-9(10)11(13)8-4-3-5-8/h1-2,6-8,11,13H,3-5H2.
What are the key properties of cyclobutyl-(2-iodophenyl)methanol?
cyclobutyl-(2-iodophenyl)methanol has a molecular weight of 288.13 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2-iodophenyl)methanol is sourced from PubChem (CID 115837930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).