1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene

C15H14BrClO — CID 107086769

IUPAC1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene
SMILESCc1cccc(Oc2cc(Cl)ccc2CBr)c1C
InChIInChI=1S/C15H14BrClO/c1-10-4-3-5-14(11(10)2)18-15-8-13(17)7-6-12(15)9-16/h3-8H,9H2,1-2H3
InChIKeyCRLTXIANWLQBJO-UHFFFAOYSA-N
MW325.63 g/mol
LogP5.64
Rot. Bonds3

About 1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene

1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene (PubChem CID 107086769) has the molecular formula C15H14BrClO and a molecular weight of 325.63 g/mol. Its IUPAC name is 1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene
PubChem CID107086769
Molecular FormulaC15H14BrClO
Molecular Weight325.63 g/mol
Exact Mass323.99
IUPAC Name1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene
SMILESCc1cccc(Oc2cc(Cl)ccc2CBr)c1C
InChIInChI=1S/C15H14BrClO/c1-10-4-3-5-14(11(10)2)18-15-8-13(17)7-6-12(15)9-16/h3-8H,9H2,1-2H3
InChIKeyCRLTXIANWLQBJO-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'}

Analyze 1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)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

1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene
CID 107086782
1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846944
1-[5-bromo-2-(bromomethyl)phenoxy]-2,3-dimethylbenzene
CID 107086768
1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846945
4-chloro-2-(2,3-dimethylphenoxy)benzonitrile
CID 63511378
1-bromo-4-[2-(bromomethyl)-5-chlorophenoxy]-2-methylbenzene
CID 107089078
4-chloro-2-(2,3-dimethylphenoxy)benzenecarbothioamide
CID 63518061
N-[[5-chloro-2-(2,3-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 114855397
1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282787
1-(bromomethyl)-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzene
CID 114850389
1-[2-[4-bromo-2-(3-methoxy-2-methylphenoxy)-5-methylphenyl]ethyl]-2-[2-[4-chloro-2-(3-methoxy-2-methylphenoxy)phenyl]ethyl]hydrazine
CID 91366090
3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine
CID 107088857

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene?
The IUPAC name of 1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene (CID 107086769) is 1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene.
What is the SMILES notation for 1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene?
The canonical SMILES for 1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene is Cc1cccc(Oc2cc(Cl)ccc2CBr)c1C.
What is the InChIKey of 1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene?
The InChIKey is CRLTXIANWLQBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO/c1-10-4-3-5-14(11(10)2)18-15-8-13(17)7-6-12(15)9-16/h3-8H,9H2,1-2H3.
What are the key properties of 1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene?
1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene 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-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene is sourced from PubChem (CID 107086769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).