1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene

C15H14BrFO — CID 65202941

IUPAC1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene
SMILESCc1ccc(COc2ccc(Br)c(F)c2)cc1C
InChIInChI=1S/C15H14BrFO/c1-10-3-4-12(7-11(10)2)9-18-13-5-6-14(16)15(17)8-13/h3-8H,9H2,1-2H3
InChIKeyUCSSJBWLQDOGQP-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.78
Rot. Bonds3

About 1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene

1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene (PubChem CID 65202941) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene
PubChem CID65202941
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene
SMILESCc1ccc(COc2ccc(Br)c(F)c2)cc1C
InChIInChI=1S/C15H14BrFO/c1-10-3-4-12(7-11(10)2)9-18-13-5-6-14(16)15(17)8-13/h3-8H,9H2,1-2H3
InChIKeyUCSSJBWLQDOGQP-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-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

2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene
CID 63458365
2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene
CID 107170178
1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
CID 83133800
4-[(4-bromo-3-methylphenyl)methoxy]phenol
CID 69115875
4-[(4-bromo-3-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698455
4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107170182
1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 65201443
4-[(4-bromo-3-fluorophenoxy)methyl]benzamide
CID 63999852
2-bromo-4-[(4-chlorophenoxy)methyl]-1-methylbenzene
CID 117221919
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene
CID 112694000
1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene
CID 83134055

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene?
The IUPAC name of 1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene (CID 65202941) is 1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene is Cc1ccc(COc2ccc(Br)c(F)c2)cc1C.
What is the InChIKey of 1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene?
The InChIKey is UCSSJBWLQDOGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c1-10-3-4-12(7-11(10)2)9-18-13-5-6-14(16)15(17)8-13/h3-8H,9H2,1-2H3.
What are the key properties of 1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene?
1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene has a molecular weight of 309.18 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene is sourced from PubChem (CID 65202941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).