3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene

C14H11BrClFO — CID 156561283

IUPAC3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene
SMILESCOc1cc(Cl)ccc1-c1ccc(C)c(Br)c1F
InChIInChI=1S/C14H11BrClFO/c1-8-3-5-11(14(17)13(8)15)10-6-4-9(16)7-12(10)18-2/h3-7H,1-2H3
InChIKeyFFPSMQMZWNVRDZ-UHFFFAOYSA-N
MW329.60 g/mol
LogP5.23
Rot. Bonds2

About 3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene

3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene (PubChem CID 156561283) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene.

Molecular Properties

Compound Name3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene
PubChem CID156561283
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene
SMILESCOc1cc(Cl)ccc1-c1ccc(C)c(Br)c1F
InChIInChI=1S/C14H11BrClFO/c1-8-3-5-11(14(17)13(8)15)10-6-4-9(16)7-12(10)18-2/h3-7H,1-2H3
InChIKeyFFPSMQMZWNVRDZ-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.60
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene
CID 146321762
1-(4-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 118805876
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337
5-bromo-2-(4-chloro-2-methoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106819708
2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136980758
2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 106819704
5-bromo-4-chloro-2-(4-chloro-2-methoxyphenyl)-6-cyclopropylpyrimidine
CID 106819162
5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine
CID 174107373
4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid
CID 53227532
2-bromo-3-fluoro-1,4-dimethylbenzene
CID 59160806
(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115829313

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene?
The IUPAC name of 3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene (CID 156561283) is 3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene.
What is the SMILES notation for 3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene?
The canonical SMILES for 3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene is COc1cc(Cl)ccc1-c1ccc(C)c(Br)c1F.
What is the InChIKey of 3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene?
The InChIKey is FFPSMQMZWNVRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c1-8-3-5-11(14(17)13(8)15)10-6-4-9(16)7-12(10)18-2/h3-7H,1-2H3.
What are the key properties of 3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene?
3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene has a molecular weight of 329.60 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene is sourced from PubChem (CID 156561283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).