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

C13H9BrClFO — CID 146321762

IUPAC1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene
SMILESCOc1cc(Cl)ccc1-c1ccc(Br)cc1F
InChIInChI=1S/C13H9BrClFO/c1-17-13-7-9(15)3-5-11(13)10-4-2-8(14)6-12(10)16/h2-7H,1H3
InChIKeyVPBYWQHSRBZMCB-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.92
Rot. Bonds2

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

1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene (PubChem CID 146321762) has the molecular formula C13H9BrClFO and a molecular weight of 315.57 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene
PubChem CID146321762
Molecular FormulaC13H9BrClFO
Molecular Weight315.57 g/mol
Exact Mass313.95
IUPAC Name1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene
SMILESCOc1cc(Cl)ccc1-c1ccc(Br)cc1F
InChIInChI=1S/C13H9BrClFO/c1-17-13-7-9(15)3-5-11(13)10-4-2-8(14)6-12(10)16/h2-7H,1H3
InChIKeyVPBYWQHSRBZMCB-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
3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene
CID 156561283
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
1-(4-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 118805876
1-(4-bromo-2-fluorophenyl)-3-chloro-2-methoxybenzene
CID 165375385
5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine
CID 174107373
N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide
CID 9085244
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 114968478
2,7-bis(4-chloro-2-fluorophenyl)-3,6-dimethoxynaphthalene;3,6-bis(4-chloro-2-fluorophenyl)naphthalene-2,7-diol;dichloromethane;tribromoborane
CID 163765354
1-(4-bromo-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545947
[(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine
CID 105323198
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene (CID 146321762) is 1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene is COc1cc(Cl)ccc1-c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene?
The InChIKey is VPBYWQHSRBZMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO/c1-17-13-7-9(15)3-5-11(13)10-4-2-8(14)6-12(10)16/h2-7H,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene?
1-(4-bromo-2-fluorophenyl)-4-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)-4-chloro-2-methoxybenzene is sourced from PubChem (CID 146321762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).