1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene

C15H14BrClO — CID 107086782

IUPAC1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene
SMILESCc1cccc(Oc2ccc(Cl)cc2CBr)c1C
InChIInChI=1S/C15H14BrClO/c1-10-4-3-5-14(11(10)2)18-15-7-6-13(17)8-12(15)9-16/h3-8H,9H2,1-2H3
InChIKeyMQAZIUNAJXACJV-UHFFFAOYSA-N
MW325.63 g/mol
LogP5.64
Rot. Bonds3

About 1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene

1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene (PubChem CID 107086782) has the molecular formula C15H14BrClO and a molecular weight of 325.63 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene
PubChem CID107086782
Molecular FormulaC15H14BrClO
Molecular Weight325.63 g/mol
Exact Mass323.99
IUPAC Name1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene
SMILESCc1cccc(Oc2ccc(Cl)cc2CBr)c1C
InChIInChI=1S/C15H14BrClO/c1-10-4-3-5-14(11(10)2)18-15-7-6-13(17)8-12(15)9-16/h3-8H,9H2,1-2H3
InChIKeyMQAZIUNAJXACJV-UHFFFAOYSA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.63
LogP ≤ 55.64
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-chloro-2-(2,3-dimethylphenoxy)benzene
CID 107086769
1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846945
N-[[5-chloro-2-(2,3-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 114855397
1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846944
3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine
CID 107088857
1-[2-(bromomethyl)-4-chlorophenoxy]-4-tert-butyl-2-methylbenzene
CID 107087609
5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene
CID 107087711
1-[5-bromo-2-(bromomethyl)phenoxy]-2,3-dimethylbenzene
CID 107086768
4-chloro-2-(2,3-dimethylphenoxy)benzonitrile
CID 63511378
1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene
CID 114267907
4-chloro-2-methyl-1-(2-methylphenoxy)benzene
CID 62706685
4-chloro-2-(2,3-dimethylphenoxy)benzenecarbothioamide
CID 63518061

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene?
The IUPAC name of 1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene (CID 107086782) is 1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene?
The canonical SMILES for 1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene is Cc1cccc(Oc2ccc(Cl)cc2CBr)c1C.
What is the InChIKey of 1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene?
The InChIKey is MQAZIUNAJXACJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO/c1-10-4-3-5-14(11(10)2)18-15-7-6-13(17)8-12(15)9-16/h3-8H,9H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene?
1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene has a molecular weight of 325.63 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene is sourced from PubChem (CID 107086782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).