4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene

C14H12BrFO — CID 107284187

IUPAC4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene
SMILESCc1ccc(Br)cc1OCc1cccc(F)c1
InChIInChI=1S/C14H12BrFO/c1-10-5-6-12(15)8-14(10)17-9-11-3-2-4-13(16)7-11/h2-8H,9H2,1H3
InChIKeyYKBSIOGBGHJENV-UHFFFAOYSA-N
MW295.15 g/mol
LogP4.48
Rot. Bonds3

About 4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene

4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene (PubChem CID 107284187) has the molecular formula C14H12BrFO and a molecular weight of 295.15 g/mol. Its IUPAC name is 4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene.

Molecular Properties

Compound Name4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene
PubChem CID107284187
Molecular FormulaC14H12BrFO
Molecular Weight295.15 g/mol
Exact Mass294.01
IUPAC Name4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene
SMILESCc1ccc(Br)cc1OCc1cccc(F)c1
InChIInChI=1S/C14H12BrFO/c1-10-5-6-12(15)8-14(10)17-9-11-3-2-4-13(16)7-11/h2-8H,9H2,1H3
InChIKeyYKBSIOGBGHJENV-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine
CID 107283560
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 103760064
[3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine
CID 107283553
3-[(3-fluorophenyl)methoxy]-4-methylbenzenecarbothioamide
CID 107656435
2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene
CID 28533453
N-[[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-chloro-4-methylaniline
CID 126119144
4-[(3-fluorophenyl)methoxy]-3-methylaniline
CID 22137933
1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene
CID 107284217
3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid
CID 63464346
1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
CID 60731007
1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 107285914

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene?
The IUPAC name of 4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene (CID 107284187) is 4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene.
What is the SMILES notation for 4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene?
The canonical SMILES for 4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene is Cc1ccc(Br)cc1OCc1cccc(F)c1.
What is the InChIKey of 4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene?
The InChIKey is YKBSIOGBGHJENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO/c1-10-5-6-12(15)8-14(10)17-9-11-3-2-4-13(16)7-11/h2-8H,9H2,1H3.
What are the key properties of 4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene?
4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene has a molecular weight of 295.15 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene is sourced from PubChem (CID 107284187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).