1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene

C12H14BrClO — CID 65007522

IUPAC1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene
SMILESClc1cccc(OCC2(CBr)CCC2)c1
InChIInChI=1S/C12H14BrClO/c13-8-12(5-2-6-12)9-15-11-4-1-3-10(14)7-11/h1,3-4,7H,2,5-6,8-9H2
InChIKeyJENGLPKWBMYJRC-UHFFFAOYSA-N
MW289.60 g/mol
LogP4.28
Rot. Bonds4

About 1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene

1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene (PubChem CID 65007522) has the molecular formula C12H14BrClO and a molecular weight of 289.60 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene
PubChem CID65007522
Molecular FormulaC12H14BrClO
Molecular Weight289.60 g/mol
Exact Mass287.99
IUPAC Name1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene
SMILESClc1cccc(OCC2(CBr)CCC2)c1
InChIInChI=1S/C12H14BrClO/c13-8-12(5-2-6-12)9-15-11-4-1-3-10(14)7-11/h1,3-4,7H,2,5-6,8-9H2
InChIKeyJENGLPKWBMYJRC-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene 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-bromo-3-[[1-(bromomethyl)cyclobutyl]methoxy]benzene
CID 65007470
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene
CID 65001708
3-[[1-(bromomethyl)cyclobutyl]methoxy]-5-chloropyridine
CID 65007377
1-(bromomethyl)-1-[(3-methoxyphenoxy)methyl]cycloheptane
CID 65009956
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene
CID 65001286
1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-methylsulfonylbenzene
CID 65008108
4-[[1-(bromomethyl)cyclobutyl]methoxy]-1-chloro-2-ethylbenzene
CID 65007584
[1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide
CID 65010191
1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene
CID 65008691
1-(bromomethoxy)-3-chlorobenzene
CID 22961199
1-[[1-(bromomethyl)cyclohexyl]methoxy]-3-methylsulfonylbenzene
CID 65002554
4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene
CID 82716872

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene?
The IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene (CID 65007522) is 1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene?
The canonical SMILES for 1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene is Clc1cccc(OCC2(CBr)CCC2)c1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene?
The InChIKey is JENGLPKWBMYJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClO/c13-8-12(5-2-6-12)9-15-11-4-1-3-10(14)7-11/h1,3-4,7H,2,5-6,8-9H2.
What are the key properties of 1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene?
1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene has a molecular weight of 289.60 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene is sourced from PubChem (CID 65007522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).