2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene

C14H11BrClFO2 — CID 104707422

IUPAC2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
SMILESCOc1ccc(OCc2c(F)cccc2Cl)c(Br)c1
InChIInChI=1S/C14H11BrClFO2/c1-18-9-5-6-14(11(15)7-9)19-8-10-12(16)3-2-4-13(10)17/h2-7H,8H2,1H3
InChIKeyAAXIQLPLLKBSER-UHFFFAOYSA-N
MW345.60 g/mol
LogP4.83
Rot. Bonds4

About 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene

2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene (PubChem CID 104707422) has the molecular formula C14H11BrClFO2 and a molecular weight of 345.60 g/mol. Its IUPAC name is 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
PubChem CID104707422
Molecular FormulaC14H11BrClFO2
Molecular Weight345.60 g/mol
Exact Mass343.96
IUPAC Name2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
SMILESCOc1ccc(OCc2c(F)cccc2Cl)c(Br)c1
InChIInChI=1S/C14H11BrClFO2/c1-18-9-5-6-14(11(15)7-9)19-8-10-12(16)3-2-4-13(10)17/h2-7H,8H2,1H3
InChIKeyAAXIQLPLLKBSER-UHFFFAOYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 63535348
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534231
2-[2-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 113443503
3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyaniline
CID 61496182
1-chloro-2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-fluorobenzene
CID 61496156
N-[[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22680259
6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde
CID 66529281
4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde
CID 11289413
1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 62370026
5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593233
2-[(3-bromo-4-fluorophenoxy)methyl]-3-chloroaniline
CID 83233189
1-bromo-2-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-4-methoxybenzene
CID 114321028

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene?
The IUPAC name of 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene (CID 104707422) is 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene.
What is the SMILES notation for 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene?
The canonical SMILES for 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene is COc1ccc(OCc2c(F)cccc2Cl)c(Br)c1.
What is the InChIKey of 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene?
The InChIKey is AAXIQLPLLKBSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO2/c1-18-9-5-6-14(11(15)7-9)19-8-10-12(16)3-2-4-13(10)17/h2-7H,8H2,1H3.
What are the key properties of 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene?
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene has a molecular weight of 345.60 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene is sourced from PubChem (CID 104707422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).