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

C15H14BrFO — CID 61086300

IUPAC1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene
SMILESCOc1cccc(CC(Br)c2ccc(F)cc2)c1
InChIInChI=1S/C15H14BrFO/c1-18-14-4-2-3-11(9-14)10-15(16)12-5-7-13(17)8-6-12/h2-9,15H,10H2,1H3
InChIKeyIVXOUZJNWAUJDP-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.51
Rot. Bonds4

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

1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene (PubChem CID 61086300) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene
PubChem CID61086300
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene
SMILESCOc1cccc(CC(Br)c2ccc(F)cc2)c1
InChIInChI=1S/C15H14BrFO/c1-18-14-4-2-3-11(9-14)10-15(16)12-5-7-13(17)8-6-12/h2-9,15H,10H2,1H3
InChIKeyIVXOUZJNWAUJDP-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-bromo-2-(3-methoxyphenyl)ethyl]-4-methylbenzene
CID 63437571
1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene
CID 55224466
1-[2-bromo-2-(4-butan-2-ylphenyl)ethyl]-3-methoxybenzene
CID 63438806
2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63435285
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63018011
1-[2-bromo-2-(3-iodophenyl)ethyl]-3-methoxybenzene
CID 55224846
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304439
2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene
CID 107993414
6-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 61096093
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
[1-(4-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105198413

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene?
The IUPAC name of 1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene (CID 61086300) is 1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene.
What is the SMILES notation for 1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene?
The canonical SMILES for 1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene is COc1cccc(CC(Br)c2ccc(F)cc2)c1.
What is the InChIKey of 1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene?
The InChIKey is IVXOUZJNWAUJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c1-18-14-4-2-3-11(9-14)10-15(16)12-5-7-13(17)8-6-12/h2-9,15H,10H2,1H3.
What are the key properties of 1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene?
1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene has a molecular weight of 309.18 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene is sourced from PubChem (CID 61086300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).