1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene

C14H11BrClFO — CID 107284217

IUPAC1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene
SMILESCc1ccc(Br)cc1OCc1cccc(F)c1Cl
InChIInChI=1S/C14H11BrClFO/c1-9-5-6-11(15)7-13(9)18-8-10-3-2-4-12(17)14(10)16/h2-7H,8H2,1H3
InChIKeyDSDSVEXEMREBEZ-UHFFFAOYSA-N
MW329.60 g/mol
LogP5.13
Rot. Bonds3

About 1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene

1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene (PubChem CID 107284217) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene.

Molecular Properties

Compound Name1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene
PubChem CID107284217
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene
SMILESCc1ccc(Br)cc1OCc1cccc(F)c1Cl
InChIInChI=1S/C14H11BrClFO/c1-9-5-6-11(15)7-13(9)18-8-10-3-2-4-12(17)14(10)16/h2-7H,8H2,1H3
InChIKeyDSDSVEXEMREBEZ-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.60
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene 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-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene
CID 112652330
2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene
CID 107284239
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene
CID 107284187
1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene
CID 112652328
8-[(5-bromo-2-methylphenoxy)methyl]quinoline
CID 107283970
1-[[2-bromo-4-(chloromethyl)phenoxy]methyl]-2-chloro-3-fluorobenzene
CID 112652538
3-[(2-bromo-3-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 107660168
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
CID 107698873
2-[(5-bromo-2-methylphenoxy)methyl]-3-chloroaniline
CID 107283450
3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
CID 112651662
2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene
CID 112652323

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene?
The IUPAC name of 1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene (CID 107284217) is 1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene.
What is the SMILES notation for 1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene?
The canonical SMILES for 1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene is Cc1ccc(Br)cc1OCc1cccc(F)c1Cl.
What is the InChIKey of 1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene?
The InChIKey is DSDSVEXEMREBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c1-9-5-6-11(15)7-13(9)18-8-10-3-2-4-12(17)14(10)16/h2-7H,8H2,1H3.
What are the key properties of 1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene?
1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene has a molecular weight of 329.60 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene is sourced from PubChem (CID 107284217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).