2-[(4-bromophenyl)-chloromethyl]oxolane

C11H12BrClO — CID 61081536

IUPAC2-[(4-bromophenyl)-chloromethyl]oxolane
SMILESClC(c1ccc(Br)cc1)C1CCCO1
InChIInChI=1S/C11H12BrClO/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h3-6,10-11H,1-2,7H2
InChIKeyCZCSOIWDSDDTSQ-UHFFFAOYSA-N
MW275.57 g/mol
LogP3.91
Rot. Bonds2

About 2-[(4-bromophenyl)-chloromethyl]oxolane

2-[(4-bromophenyl)-chloromethyl]oxolane (PubChem CID 61081536) has the molecular formula C11H12BrClO and a molecular weight of 275.57 g/mol. Its IUPAC name is 2-[(4-bromophenyl)-chloromethyl]oxolane.

Molecular Properties

Compound Name2-[(4-bromophenyl)-chloromethyl]oxolane
PubChem CID61081536
Molecular FormulaC11H12BrClO
Molecular Weight275.57 g/mol
Exact Mass273.98
IUPAC Name2-[(4-bromophenyl)-chloromethyl]oxolane
SMILESClC(c1ccc(Br)cc1)C1CCCO1
InChIInChI=1S/C11H12BrClO/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h3-6,10-11H,1-2,7H2
InChIKeyCZCSOIWDSDDTSQ-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.57
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(4-bromophenyl)-chloromethyl]oxolane 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

2-[chloro(phenyl)methyl]oxolane
CID 11084790
2-[chloro-(3,4-dichlorophenyl)methyl]oxolane
CID 61086456
2-[chloro-(2,5-dibromophenyl)methyl]oxane
CID 63429560
2-[(4-bromophenyl)-(oxolan-2-yl)methyl]propanedinitrile
CID 155934160
N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43494552
2-[chloro-(3,4-diethoxyphenyl)methyl]oxolane
CID 61083960
2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane
CID 116525931
2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]oxolane
CID 63431574
2-[(S)-(4-bromophenyl)-chloromethyl]oxetan-3-one
CID 138973067
(2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol
CID 99852159
2-[chloro-(4-methoxy-3-methylphenyl)methyl]oxane
CID 62215181
2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane
CID 61098410

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)-chloromethyl]oxolane?
The IUPAC name of 2-[(4-bromophenyl)-chloromethyl]oxolane (CID 61081536) is 2-[(4-bromophenyl)-chloromethyl]oxolane.
What is the SMILES notation for 2-[(4-bromophenyl)-chloromethyl]oxolane?
The canonical SMILES for 2-[(4-bromophenyl)-chloromethyl]oxolane is ClC(c1ccc(Br)cc1)C1CCCO1.
What is the InChIKey of 2-[(4-bromophenyl)-chloromethyl]oxolane?
The InChIKey is CZCSOIWDSDDTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h3-6,10-11H,1-2,7H2.
What are the key properties of 2-[(4-bromophenyl)-chloromethyl]oxolane?
2-[(4-bromophenyl)-chloromethyl]oxolane has a molecular weight of 275.57 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)-chloromethyl]oxolane is sourced from PubChem (CID 61081536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).