1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene

C15H13Br2FO — CID 55224466

IUPAC1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene
SMILESCOc1cccc(CC(Br)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C15H13Br2FO/c1-19-12-4-2-3-10(7-12)8-14(17)11-5-6-13(16)15(18)9-11/h2-7,9,14H,8H2,1H3
InChIKeyGOTMWOMGCOCVHY-UHFFFAOYSA-N
MW388.07 g/mol
LogP5.28
Rot. Bonds4

About 1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene

1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene (PubChem CID 55224466) has the molecular formula C15H13Br2FO and a molecular weight of 388.07 g/mol. Its IUPAC name is 1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene
PubChem CID55224466
Molecular FormulaC15H13Br2FO
Molecular Weight388.07 g/mol
Exact Mass385.93
IUPAC Name1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene
SMILESCOc1cccc(CC(Br)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C15H13Br2FO/c1-19-12-4-2-3-10(7-12)8-14(17)11-5-6-13(16)15(18)9-11/h2-7,9,14H,8H2,1H3
InChIKeyGOTMWOMGCOCVHY-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

1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene
CID 61086300
2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene
CID 107993414
1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-fluorobenzene
CID 55225424
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-4-methylbenzene
CID 63437571
2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63435285
4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene
CID 63442669
1-[2-bromo-2-(3-iodophenyl)ethyl]-3-methoxybenzene
CID 55224846
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304439
1-[2-bromo-2-(4-butan-2-ylphenyl)ethyl]-3-methoxybenzene
CID 63438806
6-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 61096093
[1-(3-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105264219
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene
CID 55224478

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene?
The IUPAC name of 1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene (CID 55224466) is 1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene is COc1cccc(CC(Br)c2ccc(Br)c(F)c2)c1.
What is the InChIKey of 1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene?
The InChIKey is GOTMWOMGCOCVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FO/c1-19-12-4-2-3-10(7-12)8-14(17)11-5-6-13(16)15(18)9-11/h2-7,9,14H,8H2,1H3.
What are the key properties of 1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene?
1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene 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 1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene is sourced from PubChem (CID 55224466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).