2-(2-bromophenyl)-5-chloro-1-fluoro-3-methoxybenzene

C13H9BrClFO — CID 175404972

IUPAC2-(2-bromophenyl)-5-chloro-1-fluoro-3-methoxybenzene
SMILESCOc1cc(Cl)cc(F)c1-c1ccccc1Br
InChIInChI=1S/C13H9BrClFO/c1-17-12-7-8(15)6-11(16)13(12)9-4-2-3-5-10(9)14/h2-7H,1H3
InChIKeyZPHRVTDEDCWIBC-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.92
Rot. Bonds2

About 2-(2-bromophenyl)-5-chloro-1-fluoro-3-methoxybenzene

2-(2-bromophenyl)-5-chloro-1-fluoro-3-methoxybenzene (PubChem CID 175404972) has the molecular formula C13H9BrClFO and a molecular weight of 315.57 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-chloro-1-fluoro-3-methoxybenzene.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-chloro-1-fluoro-3-methoxybenzene
PubChem CID175404972
Molecular FormulaC13H9BrClFO
Molecular Weight315.57 g/mol
Exact Mass313.95
IUPAC Name2-(2-bromophenyl)-5-chloro-1-fluoro-3-methoxybenzene
SMILESCOc1cc(Cl)cc(F)c1-c1ccccc1Br
InChIInChI=1S/C13H9BrClFO/c1-17-12-7-8(15)6-11(16)13(12)9-4-2-3-5-10(9)14/h2-7H,1H3
InChIKeyZPHRVTDEDCWIBC-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

3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene
CID 174993778
1-bromo-5-chloro-3-fluoro-2-methoxybenzene
CID 3863039
5-chloro-1-fluoro-2-iodo-3-methoxybenzene
CID 170171606
1-(4-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 118805876
1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene
CID 146321762
5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332501
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
CID 50999166
2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene
CID 69117451
1-bromo-2,3-difluorobenzene;carbanide;1,2-difluoro-3-(2-fluoro-6-methoxyphenyl)benzene;(2-fluoro-6-methoxyphenyl)boronic acid
CID 162159634
1-(2-bromophenyl)-2-methoxy-4-methylbenzene
CID 171366737

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-chloro-1-fluoro-3-methoxybenzene?
The IUPAC name of 2-(2-bromophenyl)-5-chloro-1-fluoro-3-methoxybenzene (CID 175404972) is 2-(2-bromophenyl)-5-chloro-1-fluoro-3-methoxybenzene.
What is the SMILES notation for 2-(2-bromophenyl)-5-chloro-1-fluoro-3-methoxybenzene?
The canonical SMILES for 2-(2-bromophenyl)-5-chloro-1-fluoro-3-methoxybenzene is COc1cc(Cl)cc(F)c1-c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-5-chloro-1-fluoro-3-methoxybenzene?
The InChIKey is ZPHRVTDEDCWIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO/c1-17-12-7-8(15)6-11(16)13(12)9-4-2-3-5-10(9)14/h2-7H,1H3.
What are the key properties of 2-(2-bromophenyl)-5-chloro-1-fluoro-3-methoxybenzene?
2-(2-bromophenyl)-5-chloro-1-fluoro-3-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 2-(2-bromophenyl)-5-chloro-1-fluoro-3-methoxybenzene is sourced from PubChem (CID 175404972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).