1-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzene

C15H13BrClFO — CID 70985321

IUPAC1-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzene
SMILESCc1cc(C)c(OCc2c(F)cccc2Cl)c(Br)c1
InChIInChI=1S/C15H13BrClFO/c1-9-6-10(2)15(12(16)7-9)19-8-11-13(17)4-3-5-14(11)18/h3-7H,8H2,1-2H3
InChIKeyBWIDUJNNMJURHD-UHFFFAOYSA-N
MW343.62 g/mol
LogP5.44
Rot. Bonds3

About 1-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzene

1-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzene (PubChem CID 70985321) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 1-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzene
PubChem CID70985321
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name1-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzene
SMILESCc1cc(C)c(OCc2c(F)cccc2Cl)c(Br)c1
InChIInChI=1S/C15H13BrClFO/c1-9-6-10(2)15(12(16)7-9)19-8-11-13(17)4-3-5-14(11)18/h3-7H,8H2,1-2H3
InChIKeyBWIDUJNNMJURHD-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.62
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzene?
The IUPAC name of 1-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzene (CID 70985321) is 1-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzene.
What is the SMILES notation for 1-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzene?
The canonical SMILES for 1-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzene is Cc1cc(C)c(OCc2c(F)cccc2Cl)c(Br)c1.
What is the InChIKey of 1-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzene?
The InChIKey is BWIDUJNNMJURHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-9-6-10(2)15(12(16)7-9)19-8-11-13(17)4-3-5-14(11)18/h3-7H,8H2,1-2H3.
What are the key properties of 1-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzene?
1-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzene has a molecular weight of 343.62 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzene is sourced from PubChem (CID 70985321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).