2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene

C15H14BrClO — CID 107723647

IUPAC2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
SMILESCc1cc(OCc2ccccc2Cl)cc(C)c1Br
InChIInChI=1S/C15H14BrClO/c1-10-7-13(8-11(2)15(10)16)18-9-12-5-3-4-6-14(12)17/h3-8H,9H2,1-2H3
InChIKeyZTBAKTATNPSHPF-UHFFFAOYSA-N
MW325.63 g/mol
LogP5.30
Rot. Bonds3

About 2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene

2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene (PubChem CID 107723647) has the molecular formula C15H14BrClO and a molecular weight of 325.63 g/mol. Its IUPAC name is 2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
PubChem CID107723647
Molecular FormulaC15H14BrClO
Molecular Weight325.63 g/mol
Exact Mass323.99
IUPAC Name2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
SMILESCc1cc(OCc2ccccc2Cl)cc(C)c1Br
InChIInChI=1S/C15H14BrClO/c1-10-7-13(8-11(2)15(10)16)18-9-12-5-3-4-6-14(12)17/h3-8H,9H2,1-2H3
InChIKeyZTBAKTATNPSHPF-UHFFFAOYSA-N
XLogP5.30
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 ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene 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-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 19168424
2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene
CID 107723747
2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 107723768
2-[2-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]acetic acid
CID 107722369
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzoic acid
CID 22687325
2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide
CID 107723488
1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene
CID 58352129
1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864298
4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 60725527
4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide
CID 81277624
5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620643

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene?
The IUPAC name of 2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene (CID 107723647) is 2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene?
The canonical SMILES for 2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene is Cc1cc(OCc2ccccc2Cl)cc(C)c1Br.
What is the InChIKey of 2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene?
The InChIKey is ZTBAKTATNPSHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO/c1-10-7-13(8-11(2)15(10)16)18-9-12-5-3-4-6-14(12)17/h3-8H,9H2,1-2H3.
What are the key properties of 2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene?
2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene has a molecular weight of 325.63 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 107723647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).