4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene

C15H13BrClFO — CID 115370094

IUPAC4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene
SMILESCOc1cc(Br)ccc1C(Cl)Cc1ccccc1F
InChIInChI=1S/C15H13BrClFO/c1-19-15-9-11(16)6-7-12(15)13(17)8-10-4-2-3-5-14(10)18/h2-7,9,13H,8H2,1H3
InChIKeyUMAKITWMKHVWLM-UHFFFAOYSA-N
MW343.62 g/mol
LogP5.12
Rot. Bonds4

About 4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene

4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene (PubChem CID 115370094) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene.

Molecular Properties

Compound Name4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene
PubChem CID115370094
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene
SMILESCOc1cc(Br)ccc1C(Cl)Cc1ccccc1F
InChIInChI=1S/C15H13BrClFO/c1-19-15-9-11(16)6-7-12(15)13(17)8-10-4-2-3-5-14(10)18/h2-7,9,13H,8H2,1H3
InChIKeyUMAKITWMKHVWLM-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.62
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene
CID 63544049
4-chloro-1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63542835
1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831118
2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene
CID 63434335
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol
CID 115826418
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 115839848
N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115828081
1-[2-bromo-2-(4-bromo-2-methoxyphenyl)ethyl]-2,4-difluorobenzene
CID 115370122
1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61078893
1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543875
1-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-2-methoxybenzene
CID 63520054
2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene
CID 115354476

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene?
The IUPAC name of 4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene (CID 115370094) is 4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene.
What is the SMILES notation for 4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene?
The canonical SMILES for 4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene is COc1cc(Br)ccc1C(Cl)Cc1ccccc1F.
What is the InChIKey of 4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene?
The InChIKey is UMAKITWMKHVWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-19-15-9-11(16)6-7-12(15)13(17)8-10-4-2-3-5-14(10)18/h2-7,9,13H,8H2,1H3.
What are the key properties of 4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene?
4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene has a molecular weight of 343.62 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene is sourced from PubChem (CID 115370094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).