1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene

C15H14BrFO — CID 64763343

IUPAC1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene
SMILESCc1ccc(OCc2cc(Br)ccc2F)c(C)c1
InChIInChI=1S/C15H14BrFO/c1-10-3-6-15(11(2)7-10)18-9-12-8-13(16)4-5-14(12)17/h3-8H,9H2,1-2H3
InChIKeyDFFICCJMMJEAGQ-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.78
Rot. Bonds3

About 1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene

1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene (PubChem CID 64763343) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene
PubChem CID64763343
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene
SMILESCc1ccc(OCc2cc(Br)ccc2F)c(C)c1
InChIInChI=1S/C15H14BrFO/c1-10-3-6-15(11(2)7-10)18-9-12-8-13(16)4-5-14(12)17/h3-8H,9H2,1-2H3
InChIKeyDFFICCJMMJEAGQ-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

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Related Compounds

4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 43095452
2-[(5-bromo-2-fluorophenyl)methoxy]-4-methylbenzoic acid
CID 61379280
2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene
CID 83057703
2-bromo-1-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707288
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421430
2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005014
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
CID 63533682
S-methyl N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamothioate
CID 129039729
N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide
CID 129039770
3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine
CID 79168706
methyl N-[5-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
CID 129039275
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene (CID 64763343) is 1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene is Cc1ccc(OCc2cc(Br)ccc2F)c(C)c1.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene?
The InChIKey is DFFICCJMMJEAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c1-10-3-6-15(11(2)7-10)18-9-12-8-13(16)4-5-14(12)17/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene?
1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene 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-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene is sourced from PubChem (CID 64763343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).