1-[2-(bromomethyl)phenyl]cyclobutan-1-ol

C11H13BrO — CID 90011285

IUPAC1-[2-(bromomethyl)phenyl]cyclobutan-1-ol
SMILESOC1(c2ccccc2CBr)CCC1
InChIInChI=1S/C11H13BrO/c12-8-9-4-1-2-5-10(9)11(13)6-3-7-11/h1-2,4-5,13H,3,6-8H2
InChIKeyHZIJPBOXYYZHLJ-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.95
Rot. Bonds2

About 1-[2-(bromomethyl)phenyl]cyclobutan-1-ol

1-[2-(bromomethyl)phenyl]cyclobutan-1-ol (PubChem CID 90011285) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-[2-(bromomethyl)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[2-(bromomethyl)phenyl]cyclobutan-1-ol
PubChem CID90011285
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name1-[2-(bromomethyl)phenyl]cyclobutan-1-ol
SMILESOC1(c2ccccc2CBr)CCC1
InChIInChI=1S/C11H13BrO/c12-8-9-4-1-2-5-10(9)11(13)6-3-7-11/h1-2,4-5,13H,3,6-8H2
InChIKeyHZIJPBOXYYZHLJ-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)phenyl]cyclobutan-1-ol?
The IUPAC name of 1-[2-(bromomethyl)phenyl]cyclobutan-1-ol (CID 90011285) is 1-[2-(bromomethyl)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[2-(bromomethyl)phenyl]cyclobutan-1-ol?
The canonical SMILES for 1-[2-(bromomethyl)phenyl]cyclobutan-1-ol is OC1(c2ccccc2CBr)CCC1.
What is the InChIKey of 1-[2-(bromomethyl)phenyl]cyclobutan-1-ol?
The InChIKey is HZIJPBOXYYZHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c12-8-9-4-1-2-5-10(9)11(13)6-3-7-11/h1-2,4-5,13H,3,6-8H2.
What are the key properties of 1-[2-(bromomethyl)phenyl]cyclobutan-1-ol?
1-[2-(bromomethyl)phenyl]cyclobutan-1-ol has a molecular weight of 241.13 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 90011285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).