1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene

C13H17BrO — CID 121494002

IUPAC1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene
SMILESBrCCc1ccc(OCC2CCC2)cc1
InChIInChI=1S/C13H17BrO/c14-9-8-11-4-6-13(7-5-11)15-10-12-2-1-3-12/h4-7,12H,1-3,8-10H2
InChIKeyPOLRUYXTJMUSLR-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.80
Rot. Bonds5

About 1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene

1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene (PubChem CID 121494002) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene
PubChem CID121494002
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene
SMILESBrCCc1ccc(OCC2CCC2)cc1
InChIInChI=1S/C13H17BrO/c14-9-8-11-4-6-13(7-5-11)15-10-12-2-1-3-12/h4-7,12H,1-3,8-10H2
InChIKeyPOLRUYXTJMUSLR-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.80
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)-4-(cyclopentylmethoxy)benzene
CID 61343018
2-[4-(cyclohexylmethoxy)phenyl]ethanol
CID 113369507
4-(cyclobutylmethoxy)benzenethiol
CID 97179596
1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
(4-ethylphenoxy)methylcycloheptane
CID 142027305
1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581
1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene
CID 22416597
1-bromo-4-(cyclobutylmethoxy)benzene;bromomethylcyclobutane;4-bromophenol
CID 161332440
1-[4-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459298
3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
CID 25019180
1-(cyclohexylmethoxy)-4-(2-methylpropyl)benzene
CID 66792626
2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide
CID 65458060

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene?
The IUPAC name of 1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene (CID 121494002) is 1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene.
What is the SMILES notation for 1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene?
The canonical SMILES for 1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene is BrCCc1ccc(OCC2CCC2)cc1.
What is the InChIKey of 1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene?
The InChIKey is POLRUYXTJMUSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c14-9-8-11-4-6-13(7-5-11)15-10-12-2-1-3-12/h4-7,12H,1-3,8-10H2.
What are the key properties of 1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene?
1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene has a molecular weight of 269.18 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene is sourced from PubChem (CID 121494002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).