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

C14H11BrClFO — CID 112652330

IUPAC1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene
SMILESCc1cc(OCc2cccc(F)c2Cl)ccc1Br
InChIInChI=1S/C14H11BrClFO/c1-9-7-11(5-6-12(9)15)18-8-10-3-2-4-13(17)14(10)16/h2-7H,8H2,1H3
InChIKeyFLPYZJVLEXLRGQ-UHFFFAOYSA-N
MW329.60 g/mol
LogP5.13
Rot. Bonds3

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

1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene (PubChem CID 112652330) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene
PubChem CID112652330
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene
SMILESCc1cc(OCc2cccc(F)c2Cl)ccc1Br
InChIInChI=1S/C14H11BrClFO/c1-9-7-11(5-6-12(9)15)18-8-10-3-2-4-13(17)14(10)16/h2-7H,8H2,1H3
InChIKeyFLPYZJVLEXLRGQ-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.60
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114188
2-chloro-1-[[4-(3-chloroprop-1-ynyl)-3-methylphenoxy]methyl]-3-fluorobenzene
CID 115984008
1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
CID 83134047
1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene
CID 107284217
1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene
CID 83133201
4-[(2-chloro-3-fluorophenyl)methoxy]phenol
CID 112652557
1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene
CID 112652328
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 105032643
1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene
CID 106863672
2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene
CID 112652526
1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745489

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene?
The IUPAC name of 1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene (CID 112652330) is 1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene.
What is the SMILES notation for 1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene?
The canonical SMILES for 1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene is Cc1cc(OCc2cccc(F)c2Cl)ccc1Br.
What is the InChIKey of 1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene?
The InChIKey is FLPYZJVLEXLRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c1-9-7-11(5-6-12(9)15)18-8-10-3-2-4-13(17)14(10)16/h2-7H,8H2,1H3.
What are the key properties of 1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene?
1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene has a molecular weight of 329.60 g/mol, XLogP of 5.13, 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-chloro-3-fluorophenyl)methoxy]-2-methylbenzene is sourced from PubChem (CID 112652330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).