1-bromo-4-chloro-2-fluoro-5-methoxybenzene

C7H5BrClFO — CID 10220378

IUPAC1-bromo-4-chloro-2-fluoro-5-methoxybenzene
SMILESCOc1cc(Br)c(F)cc1Cl
InChIInChI=1S/C7H5BrClFO/c1-11-7-2-4(8)6(10)3-5(7)9/h2-3H,1H3
InChIKeyKHRHCBZTZQFNDK-UHFFFAOYSA-N
MW239.47 g/mol
LogP3.25
Rot. Bonds1

About 1-bromo-4-chloro-2-fluoro-5-methoxybenzene

1-bromo-4-chloro-2-fluoro-5-methoxybenzene (PubChem CID 10220378) has the molecular formula C7H5BrClFO and a molecular weight of 239.47 g/mol. Its IUPAC name is 1-bromo-4-chloro-2-fluoro-5-methoxybenzene.

Molecular Properties

Compound Name1-bromo-4-chloro-2-fluoro-5-methoxybenzene
PubChem CID10220378
Molecular FormulaC7H5BrClFO
Molecular Weight239.47 g/mol
Exact Mass237.92
IUPAC Name1-bromo-4-chloro-2-fluoro-5-methoxybenzene
SMILESCOc1cc(Br)c(F)cc1Cl
InChIInChI=1S/C7H5BrClFO/c1-11-7-2-4(8)6(10)3-5(7)9/h2-3H,1H3
InChIKeyKHRHCBZTZQFNDK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-4-fluoroanisole
CID 2773580
4-Bromo-2-chloroanisole
CID 3016537
2-Bromo-6-chloroanisole
CID 23433617
5-Bromo-2-chloroanisole
CID 2769567
2-Bromo-1-chloro-4-methoxybenzene
CID 24212081
1-Bromo-4-chloro-2-methoxybenzene
CID 17984845
1-Bromo-3-chloro-5-methoxybenzene
CID 21949840
4-Bromo-2-chloro-6-iodoanisole
CID 101585753
4-Bromo-2-chloro-1-(trifluoromethoxy)benzene
CID 18350457
2-Chloro-5-fluoroanisole
CID 2724520
5-Bromo-1-chloro-3-fluoro-2-methoxybenzene
CID 2773260
4-Bromo-1-chloro-2-(trifluoromethoxy)benzene
CID 22730202

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloro-2-fluoro-5-methoxybenzene?
The IUPAC name of 1-bromo-4-chloro-2-fluoro-5-methoxybenzene (CID 10220378) is 1-bromo-4-chloro-2-fluoro-5-methoxybenzene.
What is the SMILES notation for 1-bromo-4-chloro-2-fluoro-5-methoxybenzene?
The canonical SMILES for 1-bromo-4-chloro-2-fluoro-5-methoxybenzene is COc1cc(Br)c(F)cc1Cl.
What is the InChIKey of 1-bromo-4-chloro-2-fluoro-5-methoxybenzene?
The InChIKey is KHRHCBZTZQFNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO/c1-11-7-2-4(8)6(10)3-5(7)9/h2-3H,1H3.
What are the key properties of 1-bromo-4-chloro-2-fluoro-5-methoxybenzene?
1-bromo-4-chloro-2-fluoro-5-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 1-bromo-4-chloro-2-fluoro-5-methoxybenzene is sourced from PubChem (CID 10220378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).