1-bromo-4-(2-cyclobutylethoxymethyl)benzene

C13H17BrO — CID 106203728

IUPAC1-bromo-4-(2-cyclobutylethoxymethyl)benzene
SMILESBrc1ccc(COCCC2CCC2)cc1
InChIInChI=1S/C13H17BrO/c14-13-6-4-12(5-7-13)10-15-9-8-11-2-1-3-11/h4-7,11H,1-3,8-10H2
InChIKeyMGIDGJFDDWOJRX-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.16
Rot. Bonds5

About 1-bromo-4-(2-cyclobutylethoxymethyl)benzene

1-bromo-4-(2-cyclobutylethoxymethyl)benzene (PubChem CID 106203728) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-bromo-4-(2-cyclobutylethoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-cyclobutylethoxymethyl)benzene
PubChem CID106203728
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-bromo-4-(2-cyclobutylethoxymethyl)benzene
SMILESBrc1ccc(COCCC2CCC2)cc1
InChIInChI=1S/C13H17BrO/c14-13-6-4-12(5-7-13)10-15-9-8-11-2-1-3-11/h4-7,11H,1-3,8-10H2
InChIKeyMGIDGJFDDWOJRX-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-4-(2-cyclobutylethoxymethyl)benzene 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

4-(2-cyclobutylethoxymethyl)benzoic acid
CID 106199345
2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene
CID 106203749
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol
CID 106203857
1-bromo-4-(2-cyclohexylethyl)benzene
CID 70911699
1-bromo-4-(3,3-dimethylbutoxymethyl)benzene
CID 66225376
1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine
CID 106206004
(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine
CID 35754092
(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
CID 86321735
1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene
CID 166785433
2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine
CID 106205912
2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide
CID 106206559

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-cyclobutylethoxymethyl)benzene?
The IUPAC name of 1-bromo-4-(2-cyclobutylethoxymethyl)benzene (CID 106203728) is 1-bromo-4-(2-cyclobutylethoxymethyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-cyclobutylethoxymethyl)benzene?
The canonical SMILES for 1-bromo-4-(2-cyclobutylethoxymethyl)benzene is Brc1ccc(COCCC2CCC2)cc1.
What is the InChIKey of 1-bromo-4-(2-cyclobutylethoxymethyl)benzene?
The InChIKey is MGIDGJFDDWOJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c14-13-6-4-12(5-7-13)10-15-9-8-11-2-1-3-11/h4-7,11H,1-3,8-10H2.
What are the key properties of 1-bromo-4-(2-cyclobutylethoxymethyl)benzene?
1-bromo-4-(2-cyclobutylethoxymethyl)benzene has a molecular weight of 269.18 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-cyclobutylethoxymethyl)benzene is sourced from PubChem (CID 106203728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).