1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene

C14H11BrF2O — CID 112694000

IUPAC1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene
SMILESCc1cc(OCc2cc(F)cc(F)c2)ccc1Br
InChIInChI=1S/C14H11BrF2O/c1-9-4-13(2-3-14(9)15)18-8-10-5-11(16)7-12(17)6-10/h2-7H,8H2,1H3
InChIKeyQFXLWTSVLVQJBN-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.61
Rot. Bonds3

About 1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene

1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene (PubChem CID 112694000) has the molecular formula C14H11BrF2O and a molecular weight of 313.14 g/mol. Its IUPAC name is 1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene
PubChem CID112694000
Molecular FormulaC14H11BrF2O
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene
SMILESCc1cc(OCc2cc(F)cc(F)c2)ccc1Br
InChIInChI=1S/C14H11BrF2O/c1-9-4-13(2-3-14(9)15)18-8-10-5-11(16)7-12(17)6-10/h2-7H,8H2,1H3
InChIKeyQFXLWTSVLVQJBN-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403669
1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
CID 83133800
2-[(4-bromo-3-methylphenoxy)methyl]-5-fluoroaniline
CID 83133849
1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene
CID 83134055
1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
CID 83134047
1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene
CID 83233067
[3-[(4-bromo-3-methylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 83134024
4-[(4-bromo-3-methylphenyl)methoxy]phenol
CID 69115875
2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene
CID 63458365
[3-[(4-bromo-3,5-dimethylphenoxy)methyl]-5-fluorophenyl]methanamine
CID 107722883
1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene
CID 65202941

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene?
The IUPAC name of 1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene (CID 112694000) is 1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene.
What is the SMILES notation for 1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene?
The canonical SMILES for 1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene is Cc1cc(OCc2cc(F)cc(F)c2)ccc1Br.
What is the InChIKey of 1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene?
The InChIKey is QFXLWTSVLVQJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O/c1-9-4-13(2-3-14(9)15)18-8-10-5-11(16)7-12(17)6-10/h2-7H,8H2,1H3.
What are the key properties of 1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene?
1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene has a molecular weight of 313.14 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene is sourced from PubChem (CID 112694000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).