1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene

C14H11BrF2O2 — CID 102876842

IUPAC1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(Br)c(F)c2)c(F)c1
InChIInChI=1S/C14H11BrF2O2/c1-18-10-3-2-9(13(16)6-10)8-19-11-4-5-12(15)14(17)7-11/h2-7H,8H2,1H3
InChIKeyHKUXFQRWTKISKV-UHFFFAOYSA-N
MW329.14 g/mol
LogP4.31
Rot. Bonds4

About 1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene

1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene (PubChem CID 102876842) has the molecular formula C14H11BrF2O2 and a molecular weight of 329.14 g/mol. Its IUPAC name is 1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
PubChem CID102876842
Molecular FormulaC14H11BrF2O2
Molecular Weight329.14 g/mol
Exact Mass327.99
IUPAC Name1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(Br)c(F)c2)c(F)c1
InChIInChI=1S/C14H11BrF2O2/c1-18-10-3-2-9(13(16)6-10)8-19-11-4-5-12(15)14(17)7-11/h2-7H,8H2,1H3
InChIKeyHKUXFQRWTKISKV-UHFFFAOYSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 102876103
4-bromo-3-[(2-fluoro-4-methoxyphenyl)methoxy]aniline
CID 103009094
2-fluoro-6-[(2-fluoro-4-methoxyphenyl)methoxy]naphthalene
CID 139853874
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluoroaniline
CID 65322368
2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene
CID 102876837
4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline
CID 102878273
2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 107675360
1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102877189
1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
CID 83134047
(1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718303
4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
CID 107170184
4-[(4-bromo-3-fluorophenoxy)methyl]-3-chloroaniline
CID 65203491

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene?
The IUPAC name of 1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene (CID 102876842) is 1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene is COc1ccc(COc2ccc(Br)c(F)c2)c(F)c1.
What is the InChIKey of 1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene?
The InChIKey is HKUXFQRWTKISKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O2/c1-18-10-3-2-9(13(16)6-10)8-19-11-4-5-12(15)14(17)7-11/h2-7H,8H2,1H3.
What are the key properties of 1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene?
1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene has a molecular weight of 329.14 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 102876842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).