1-(cyclobutyloxymethyl)-4-iodobenzene

C11H13IO — CID 65490740

IUPAC1-(cyclobutyloxymethyl)-4-iodobenzene
SMILESIc1ccc(COC2CCC2)cc1
InChIInChI=1S/C11H13IO/c12-10-6-4-9(5-7-10)8-13-11-2-1-3-11/h4-7,11H,1-3,8H2
InChIKeyZILROBYOPHDIDX-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.36
Rot. Bonds3

About 1-(cyclobutyloxymethyl)-4-iodobenzene

1-(cyclobutyloxymethyl)-4-iodobenzene (PubChem CID 65490740) has the molecular formula C11H13IO and a molecular weight of 288.13 g/mol. Its IUPAC name is 1-(cyclobutyloxymethyl)-4-iodobenzene.

Molecular Properties

Compound Name1-(cyclobutyloxymethyl)-4-iodobenzene
PubChem CID65490740
Molecular FormulaC11H13IO
Molecular Weight288.13 g/mol
Exact Mass288.00
IUPAC Name1-(cyclobutyloxymethyl)-4-iodobenzene
SMILESIc1ccc(COC2CCC2)cc1
InChIInChI=1S/C11H13IO/c12-10-6-4-9(5-7-10)8-13-11-2-1-3-11/h4-7,11H,1-3,8H2
InChIKeyZILROBYOPHDIDX-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.36
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

1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene
CID 65491519
3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409439
4-(cyclohexyloxymethyl)benzenethiol
CID 91656879
[4-(cycloheptyloxymethyl)phenyl]methanamine
CID 61069356
azane;cyclopentyloxymethylbenzene
CID 69411306
4-(cyclobutyloxymethyl)-1,2-difluorobenzene
CID 155941931
1-[4-(cyclopentyloxymethyl)phenyl]-N-methylmethanamine
CID 62445200
[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methanol
CID 126675322
[4-(cycloheptyloxymethyl)phenyl]-trimethylsilane
CID 103438663
1-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]-N,N-dimethylmethanamine
CID 126676155
5-(cyclobutyloxymethyl)-2-methylpyridine
CID 148700580
2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid
CID 105344947

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutyloxymethyl)-4-iodobenzene?
The IUPAC name of 1-(cyclobutyloxymethyl)-4-iodobenzene (CID 65490740) is 1-(cyclobutyloxymethyl)-4-iodobenzene.
What is the SMILES notation for 1-(cyclobutyloxymethyl)-4-iodobenzene?
The canonical SMILES for 1-(cyclobutyloxymethyl)-4-iodobenzene is Ic1ccc(COC2CCC2)cc1.
What is the InChIKey of 1-(cyclobutyloxymethyl)-4-iodobenzene?
The InChIKey is ZILROBYOPHDIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO/c12-10-6-4-9(5-7-10)8-13-11-2-1-3-11/h4-7,11H,1-3,8H2.
What are the key properties of 1-(cyclobutyloxymethyl)-4-iodobenzene?
1-(cyclobutyloxymethyl)-4-iodobenzene has a molecular weight of 288.13 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutyloxymethyl)-4-iodobenzene is sourced from PubChem (CID 65490740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).