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

C16H16BrFO2 — CID 81284823

IUPAC4-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-fluoro-2-methoxybenzene
SMILESCOc1ccc(CC(Br)c2ccc(F)c(OC)c2)cc1
InChIInChI=1S/C16H16BrFO2/c1-19-13-6-3-11(4-7-13)9-14(17)12-5-8-15(18)16(10-12)20-2/h3-8,10,14H,9H2,1-2H3
InChIKeyXEXRDEZLVPFIPN-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.52
Rot. Bonds5

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

4-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-fluoro-2-methoxybenzene (PubChem CID 81284823) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 4-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name4-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-fluoro-2-methoxybenzene
PubChem CID81284823
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name4-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-fluoro-2-methoxybenzene
SMILESCOc1ccc(CC(Br)c2ccc(F)c(OC)c2)cc1
InChIInChI=1S/C16H16BrFO2/c1-19-13-6-3-11(4-7-13)9-14(17)12-5-8-15(18)16(10-12)20-2/h3-8,10,14H,9H2,1-2H3
InChIKeyXEXRDEZLVPFIPN-UHFFFAOYSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81288682
(4-fluoro-3-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 81285020
1-[2-bromo-2-(4-methoxyphenyl)ethyl]-4-methylbenzene
CID 63437164
(4-fluoro-3-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 81289069
1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine
CID 81284853
4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene
CID 81284003
2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 81284038
4-[1-bromo-2-(4-methylphenyl)ethyl]-1,2-difluorobenzene
CID 55218629
1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 81284508
4-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-1-fluoro-2-methoxybenzene
CID 81289235
1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 63443286
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685

Frequently Asked Questions

What is the IUPAC name of 4-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-fluoro-2-methoxybenzene?
The IUPAC name of 4-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-fluoro-2-methoxybenzene (CID 81284823) is 4-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-fluoro-2-methoxybenzene.
What is the SMILES notation for 4-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-fluoro-2-methoxybenzene?
The canonical SMILES for 4-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-fluoro-2-methoxybenzene is COc1ccc(CC(Br)c2ccc(F)c(OC)c2)cc1.
What is the InChIKey of 4-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-fluoro-2-methoxybenzene?
The InChIKey is XEXRDEZLVPFIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-19-13-6-3-11(4-7-13)9-14(17)12-5-8-15(18)16(10-12)20-2/h3-8,10,14H,9H2,1-2H3.
What are the key properties of 4-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-fluoro-2-methoxybenzene?
4-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-fluoro-2-methoxybenzene has a molecular weight of 339.20 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-fluoro-2-methoxybenzene is sourced from PubChem (CID 81284823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).