1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene

C14H11BrCl2O — CID 83133201

IUPAC1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene
SMILESCc1cc(OCc2c(Cl)cccc2Cl)ccc1Br
InChIInChI=1S/C14H11BrCl2O/c1-9-7-10(5-6-12(9)15)18-8-11-13(16)3-2-4-14(11)17/h2-7H,8H2,1H3
InChIKeyAEUIEBOHKQBJGJ-UHFFFAOYSA-N
MW346.05 g/mol
LogP5.64
Rot. Bonds3

About 1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene

1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene (PubChem CID 83133201) has the molecular formula C14H11BrCl2O and a molecular weight of 346.05 g/mol. Its IUPAC name is 1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene
PubChem CID83133201
Molecular FormulaC14H11BrCl2O
Molecular Weight346.05 g/mol
Exact Mass343.94
IUPAC Name1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene
SMILESCc1cc(OCc2c(Cl)cccc2Cl)ccc1Br
InChIInChI=1S/C14H11BrCl2O/c1-9-7-10(5-6-12(9)15)18-8-11-13(16)3-2-4-14(11)17/h2-7H,8H2,1H3
InChIKeyAEUIEBOHKQBJGJ-UHFFFAOYSA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.05
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene
CID 106863672
1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene
CID 112652330
2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone
CID 83140397
5-[(4-bromo-3-methylphenoxy)methyl]-1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole
CID 67527777
2-bromo-5-[(2,6-dichlorophenyl)methoxy]pyridine
CID 103695201
2-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazole
CID 115318324
4-[(4-bromo-3-methylphenoxy)methyl]-3-chlorobenzonitrile
CID 102665972
[3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114188
2-[(4-bromo-3-methylphenoxy)methyl]-5-chloro-1,3,4-thiadiazole
CID 83133606

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene?
The IUPAC name of 1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene (CID 83133201) is 1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene.
What is the SMILES notation for 1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene?
The canonical SMILES for 1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene is Cc1cc(OCc2c(Cl)cccc2Cl)ccc1Br.
What is the InChIKey of 1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene?
The InChIKey is AEUIEBOHKQBJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2O/c1-9-7-10(5-6-12(9)15)18-8-11-13(16)3-2-4-14(11)17/h2-7H,8H2,1H3.
What are the key properties of 1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene?
1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene has a molecular weight of 346.05 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene is sourced from PubChem (CID 83133201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).