[[1-(bromomethyl)cyclopropyl]-methoxymethyl]benzene

C12H15BrO — CID 22636892

IUPAC[[1-(bromomethyl)cyclopropyl]-methoxymethyl]benzene
SMILESCOC(c1ccccc1)C1(CBr)CC1
InChIInChI=1S/C12H15BrO/c1-14-11(12(9-13)7-8-12)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyXAWYUPIEFAZEKX-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.55
Rot. Bonds4

About [[1-(bromomethyl)cyclopropyl]-methoxymethyl]benzene

[[1-(bromomethyl)cyclopropyl]-methoxymethyl]benzene (PubChem CID 22636892) has the molecular formula C12H15BrO and a molecular weight of 255.16 g/mol. Its IUPAC name is [[1-(bromomethyl)cyclopropyl]-methoxymethyl]benzene.

Molecular Properties

Compound Name[[1-(bromomethyl)cyclopropyl]-methoxymethyl]benzene
PubChem CID22636892
Molecular FormulaC12H15BrO
Molecular Weight255.16 g/mol
Exact Mass254.03
IUPAC Name[[1-(bromomethyl)cyclopropyl]-methoxymethyl]benzene
SMILESCOC(c1ccccc1)C1(CBr)CC1
InChIInChI=1S/C12H15BrO/c1-14-11(12(9-13)7-8-12)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyXAWYUPIEFAZEKX-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.55
H-Bond Donors ≤ 50
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-(bromomethyl)cyclopropyl]-methoxymethyl]benzene?
The IUPAC name of [[1-(bromomethyl)cyclopropyl]-methoxymethyl]benzene (CID 22636892) is [[1-(bromomethyl)cyclopropyl]-methoxymethyl]benzene.
What is the SMILES notation for [[1-(bromomethyl)cyclopropyl]-methoxymethyl]benzene?
The canonical SMILES for [[1-(bromomethyl)cyclopropyl]-methoxymethyl]benzene is COC(c1ccccc1)C1(CBr)CC1.
What is the InChIKey of [[1-(bromomethyl)cyclopropyl]-methoxymethyl]benzene?
The InChIKey is XAWYUPIEFAZEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-14-11(12(9-13)7-8-12)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3.
What are the key properties of [[1-(bromomethyl)cyclopropyl]-methoxymethyl]benzene?
[[1-(bromomethyl)cyclopropyl]-methoxymethyl]benzene has a molecular weight of 255.16 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-(bromomethyl)cyclopropyl]-methoxymethyl]benzene is sourced from PubChem (CID 22636892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).