4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene

C15H13Br2FO — CID 63442669

IUPAC4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene
SMILESCOc1ccc(C(Br)Cc2cccc(Br)c2)cc1F
InChIInChI=1S/C15H13Br2FO/c1-19-15-6-5-11(9-14(15)18)13(17)8-10-3-2-4-12(16)7-10/h2-7,9,13H,8H2,1H3
InChIKeyUAEBMFGKVPGPDJ-UHFFFAOYSA-N
MW388.07 g/mol
LogP5.28
Rot. Bonds4

About 4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene

4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene (PubChem CID 63442669) has the molecular formula C15H13Br2FO and a molecular weight of 388.07 g/mol. Its IUPAC name is 4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene
PubChem CID63442669
Molecular FormulaC15H13Br2FO
Molecular Weight388.07 g/mol
Exact Mass385.93
IUPAC Name4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene
SMILESCOc1ccc(C(Br)Cc2cccc(Br)c2)cc1F
InChIInChI=1S/C15H13Br2FO/c1-19-15-6-5-11(9-14(15)18)13(17)8-10-3-2-4-12(16)7-10/h2-7,9,13H,8H2,1H3
InChIKeyUAEBMFGKVPGPDJ-UHFFFAOYSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.07
LogP ≤ 55.28
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-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-2-fluoro-1-methoxybenzene
CID 66043530
1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene
CID 55224466
(3-bromophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474225
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61082269
N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65378731
4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene
CID 115482941
2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene
CID 63018350
1-bromo-2-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-3-fluorobenzene
CID 114560660
2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 79702145
2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973647
[2-(3-bromophenyl)-1-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105192188
4-(1-bromo-2-methylbutyl)-2-fluoro-1-methoxybenzene
CID 61098601

Frequently Asked Questions

What is the IUPAC name of 4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene?
The IUPAC name of 4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene (CID 63442669) is 4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene.
What is the SMILES notation for 4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene?
The canonical SMILES for 4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene is COc1ccc(C(Br)Cc2cccc(Br)c2)cc1F.
What is the InChIKey of 4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene?
The InChIKey is UAEBMFGKVPGPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FO/c1-19-15-6-5-11(9-14(15)18)13(17)8-10-3-2-4-12(16)7-10/h2-7,9,13H,8H2,1H3.
What are the key properties of 4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene?
4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene has a molecular weight of 388.07 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene is sourced from PubChem (CID 63442669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).