5-bromo-1-chloro-3-fluoro-2-methoxybenzene

C7H5BrClFO — CID 2773260

IUPAC5-bromo-1-chloro-3-fluoro-2-methoxybenzene
SMILESCOc1c(F)cc(Br)cc1Cl
InChIInChI=1S/C7H5BrClFO/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKeyIKWHDHGNXXVBHZ-UHFFFAOYSA-N
MW239.47 g/mol
LogP3.25
Rot. Bonds1

About 5-bromo-1-chloro-3-fluoro-2-methoxybenzene

5-bromo-1-chloro-3-fluoro-2-methoxybenzene (PubChem CID 2773260) has the molecular formula C7H5BrClFO and a molecular weight of 239.47 g/mol. Its IUPAC name is 5-bromo-1-chloro-3-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name5-bromo-1-chloro-3-fluoro-2-methoxybenzene
PubChem CID2773260
Molecular FormulaC7H5BrClFO
Molecular Weight239.47 g/mol
Exact Mass237.92
IUPAC Name5-bromo-1-chloro-3-fluoro-2-methoxybenzene
SMILESCOc1c(F)cc(Br)cc1Cl
InChIInChI=1S/C7H5BrClFO/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKeyIKWHDHGNXXVBHZ-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-1-chloro-3-fluoro-2-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Bromo-3,5-dichloro-2-methoxybenzene
CID 17087326
2-Bromo-4-chloroanisole
CID 521935
2-Chloro-6-fluoroanisole
CID 2773581
2-Chloro-4-fluoroanisole
CID 2773580
4-Bromo-2-chloroanisole
CID 3016537
2-Bromo-6-chloroanisole
CID 23433617
5-Bromo-2-chloroanisole
CID 2769567
1-Bromo-2-chloro-4-methoxybenzene
CID 2756863
1-Bromo-3-chloro-5-methoxybenzene
CID 21949840
4-Bromo-2-chloro-6-iodoanisole
CID 101585753
(4-Bromo-2-chlorophenyl) acetate
CID 190463
Allyl 4-bromo-2-chlorophenyl ether
CID 3359713

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-chloro-3-fluoro-2-methoxybenzene?
The IUPAC name of 5-bromo-1-chloro-3-fluoro-2-methoxybenzene (CID 2773260) is 5-bromo-1-chloro-3-fluoro-2-methoxybenzene.
What is the SMILES notation for 5-bromo-1-chloro-3-fluoro-2-methoxybenzene?
The canonical SMILES for 5-bromo-1-chloro-3-fluoro-2-methoxybenzene is COc1c(F)cc(Br)cc1Cl.
What is the InChIKey of 5-bromo-1-chloro-3-fluoro-2-methoxybenzene?
The InChIKey is IKWHDHGNXXVBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3.
What are the key properties of 5-bromo-1-chloro-3-fluoro-2-methoxybenzene?
5-bromo-1-chloro-3-fluoro-2-methoxybenzene has a molecular weight of 239.47 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-chloro-3-fluoro-2-methoxybenzene is sourced from PubChem (CID 2773260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).