1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene

C13H17BrO — CID 103165731

IUPAC1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
SMILESCOc1ccc(C(Br)CC2CCC2)cc1
InChIInChI=1S/C13H17BrO/c1-15-12-7-5-11(6-8-12)13(14)9-10-3-2-4-10/h5-8,10,13H,2-4,9H2,1H3
InChIKeyKGYZEXLQDWLEHC-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.32
Rot. Bonds4

About 1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene

1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene (PubChem CID 103165731) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
PubChem CID103165731
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
SMILESCOc1ccc(C(Br)CC2CCC2)cc1
InChIInChI=1S/C13H17BrO/c1-15-12-7-5-11(6-8-12)13(14)9-10-3-2-4-10/h5-8,10,13H,2-4,9H2,1H3
InChIKeyKGYZEXLQDWLEHC-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene
CID 63437137
1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene
CID 103165712
2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 65458581
1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine
CID 104866403
2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene
CID 63443650
4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene
CID 63439505
[2-bromo-2-(4-ethylphenyl)ethyl]cycloheptane
CID 114458721
[2-bromo-2-(4-tert-butylphenyl)ethyl]cycloheptane
CID 114458720
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene
CID 63544491
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 63017637

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene?
The IUPAC name of 1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene (CID 103165731) is 1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene?
The canonical SMILES for 1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene is COc1ccc(C(Br)CC2CCC2)cc1.
What is the InChIKey of 1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene?
The InChIKey is KGYZEXLQDWLEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-15-12-7-5-11(6-8-12)13(14)9-10-3-2-4-10/h5-8,10,13H,2-4,9H2,1H3.
What are the key properties of 1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene?
1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene has a molecular weight of 269.18 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene is sourced from PubChem (CID 103165731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).