1-(bromomethyl)-2-(cyclobutylmethoxy)benzene

C12H15BrO — CID 58083522

IUPAC1-(bromomethyl)-2-(cyclobutylmethoxy)benzene
SMILESBrCc1ccccc1OCC1CCC1
InChIInChI=1S/C12H15BrO/c13-8-11-6-1-2-7-12(11)14-9-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9H2
InChIKeyYVQSDANWYVUEEN-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.76
Rot. Bonds4

About 1-(bromomethyl)-2-(cyclobutylmethoxy)benzene

1-(bromomethyl)-2-(cyclobutylmethoxy)benzene (PubChem CID 58083522) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-(bromomethyl)-2-(cyclobutylmethoxy)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-(cyclobutylmethoxy)benzene
PubChem CID58083522
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-(bromomethyl)-2-(cyclobutylmethoxy)benzene
SMILESBrCc1ccccc1OCC1CCC1
InChIInChI=1S/C12H15BrO/c13-8-11-6-1-2-7-12(11)14-9-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9H2
InChIKeyYVQSDANWYVUEEN-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-2-(cyclopentylmethoxy)benzene
CID 61343019
4-[[2-(bromomethyl)phenoxy]methyl]oxane
CID 62387338
[2-(cyclobutylmethoxy)phenyl]methanol
CID 58083532
2-[2-(cyclohexylmethoxy)phenyl]acetic acid
CID 11974933
1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene
CID 166839557
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene
CID 160519985
[2-(cyclohexylmethoxy)phenyl]methyl-triphenylphosphanium chloride
CID 22678452
1-(bromomethyl)-3-chloro-2-(cyclopentylmethoxy)benzene
CID 112613746
1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
CID 91089449
1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine
CID 146001154
1-[2-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296327

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-(cyclobutylmethoxy)benzene?
The IUPAC name of 1-(bromomethyl)-2-(cyclobutylmethoxy)benzene (CID 58083522) is 1-(bromomethyl)-2-(cyclobutylmethoxy)benzene.
What is the SMILES notation for 1-(bromomethyl)-2-(cyclobutylmethoxy)benzene?
The canonical SMILES for 1-(bromomethyl)-2-(cyclobutylmethoxy)benzene is BrCc1ccccc1OCC1CCC1.
What is the InChIKey of 1-(bromomethyl)-2-(cyclobutylmethoxy)benzene?
The InChIKey is YVQSDANWYVUEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c13-8-11-6-1-2-7-12(11)14-9-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9H2.
What are the key properties of 1-(bromomethyl)-2-(cyclobutylmethoxy)benzene?
1-(bromomethyl)-2-(cyclobutylmethoxy)benzene has a molecular weight of 255.15 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-(cyclobutylmethoxy)benzene is sourced from PubChem (CID 58083522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).