1-(4-bromo-2-fluorophenyl)-3-chloro-2-methoxybenzene

C13H9BrClFO — CID 165375385

IUPAC1-(4-bromo-2-fluorophenyl)-3-chloro-2-methoxybenzene
SMILESCOc1c(Cl)cccc1-c1ccc(Br)cc1F
InChIInChI=1S/C13H9BrClFO/c1-17-13-10(3-2-4-11(13)15)9-6-5-8(14)7-12(9)16/h2-7H,1H3
InChIKeyBACXVVAOEBIDCI-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.92
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)-3-chloro-2-methoxybenzene

1-(4-bromo-2-fluorophenyl)-3-chloro-2-methoxybenzene (PubChem CID 165375385) has the molecular formula C13H9BrClFO and a molecular weight of 315.57 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-chloro-2-methoxybenzene.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-chloro-2-methoxybenzene
PubChem CID165375385
Molecular FormulaC13H9BrClFO
Molecular Weight315.57 g/mol
Exact Mass313.95
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-chloro-2-methoxybenzene
SMILESCOc1c(Cl)cccc1-c1ccc(Br)cc1F
InChIInChI=1S/C13H9BrClFO/c1-17-13-10(3-2-4-11(13)15)9-6-5-8(14)7-12(9)16/h2-7H,1H3
InChIKeyBACXVVAOEBIDCI-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene
CID 67003117
1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene
CID 146321762
1-(5-bromo-2-fluorophenyl)-4-(2-fluorophenyl)-2,3-dimethoxynaphthalene
CID 130227013
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607867
1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene
CID 122700549
5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
5-[(5-bromo-2-chlorophenyl)methyl]-1,3-difluoro-2-methoxybenzene
CID 59235389
1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone
CID 21406743
1,2,3-trichloro-5-(3-fluoro-2-methoxyphenyl)benzene
CID 134626763
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline
CID 104815657
4-(4-bromo-2-fluorophenyl)dibenzothiophene
CID 126592593
5-bromo-1,3-difluoro-2-methoxybenzene;ethane
CID 144516394

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-chloro-2-methoxybenzene?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-chloro-2-methoxybenzene (CID 165375385) is 1-(4-bromo-2-fluorophenyl)-3-chloro-2-methoxybenzene.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-chloro-2-methoxybenzene?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-chloro-2-methoxybenzene is COc1c(Cl)cccc1-c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-chloro-2-methoxybenzene?
The InChIKey is BACXVVAOEBIDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO/c1-17-13-10(3-2-4-11(13)15)9-6-5-8(14)7-12(9)16/h2-7H,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-chloro-2-methoxybenzene?
1-(4-bromo-2-fluorophenyl)-3-chloro-2-methoxybenzene has a molecular weight of 315.57 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-chloro-2-methoxybenzene is sourced from PubChem (CID 165375385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).