1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene

C16H15Br2FO — CID 79454075

IUPAC1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene
SMILESCOc1ccc(Br)c(CC(CBr)c2ccccc2F)c1
InChIInChI=1S/C16H15Br2FO/c1-20-13-6-7-15(18)11(9-13)8-12(10-17)14-4-2-3-5-16(14)19/h2-7,9,12H,8,10H2,1H3
InChIKeyQXFLVBXHTXCLPP-UHFFFAOYSA-N
MW402.10 g/mol
LogP5.32
Rot. Bonds5

About 1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene

1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene (PubChem CID 79454075) has the molecular formula C16H15Br2FO and a molecular weight of 402.10 g/mol. Its IUPAC name is 1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene
PubChem CID79454075
Molecular FormulaC16H15Br2FO
Molecular Weight402.10 g/mol
Exact Mass399.95
IUPAC Name1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene
SMILESCOc1ccc(Br)c(CC(CBr)c2ccccc2F)c1
InChIInChI=1S/C16H15Br2FO/c1-20-13-6-7-15(18)11(9-13)8-12(10-17)14-4-2-3-5-16(14)19/h2-7,9,12H,8,10H2,1H3
InChIKeyQXFLVBXHTXCLPP-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.10
LogP ≤ 55.32
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-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene
CID 79454615
1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 115801395
4-bromo-1-[3-bromo-2-(2-fluorophenyl)propyl]-2-fluorobenzene
CID 79454541
2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol
CID 114853149
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propan-1-amine
CID 79440611
1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene
CID 79454466
1-(1,3-dibromopropan-2-yl)-2-fluorobenzene
CID 79456002
2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene
CID 79455155
1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862408
2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)ethanamine
CID 65325566
2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine
CID 65326574
1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
CID 65327415

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene?
The IUPAC name of 1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene (CID 79454075) is 1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene.
What is the SMILES notation for 1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene?
The canonical SMILES for 1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene is COc1ccc(Br)c(CC(CBr)c2ccccc2F)c1.
What is the InChIKey of 1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene?
The InChIKey is QXFLVBXHTXCLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2FO/c1-20-13-6-7-15(18)11(9-13)8-12(10-17)14-4-2-3-5-16(14)19/h2-7,9,12H,8,10H2,1H3.
What are the key properties of 1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene?
1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene has a molecular weight of 402.10 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene is sourced from PubChem (CID 79454075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).