1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene

C17H18BrFO — CID 66041110

IUPAC1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene
SMILESCOc1ccccc1CC(CBr)Cc1cccc(F)c1
InChIInChI=1S/C17H18BrFO/c1-20-17-8-3-2-6-15(17)10-14(12-18)9-13-5-4-7-16(19)11-13/h2-8,11,14H,9-10,12H2,1H3
InChIKeyATNOHXAGADUWQV-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.63
Rot. Bonds6

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

1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene (PubChem CID 66041110) has the molecular formula C17H18BrFO and a molecular weight of 337.23 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene
PubChem CID66041110
Molecular FormulaC17H18BrFO
Molecular Weight337.23 g/mol
Exact Mass336.05
IUPAC Name1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene
SMILESCOc1ccccc1CC(CBr)Cc1cccc(F)c1
InChIInChI=1S/C17H18BrFO/c1-20-17-8-3-2-6-15(17)10-14(12-18)9-13-5-4-7-16(19)11-13/h2-8,11,14H,9-10,12H2,1H3
InChIKeyATNOHXAGADUWQV-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.63
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

2-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-1-methoxy-4-methylbenzene
CID 66042915
1-(2-benzyl-3-bromopropyl)-3-fluorobenzene
CID 66047635
1-[2-(bromomethyl)-3-(4-iodophenyl)propyl]-2-methoxybenzene
CID 66041158
4-bromo-2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1-methoxybenzene
CID 66041326
2-[1-bromo-2-(3-fluorophenyl)ethyl]-1,3-dimethoxybenzene
CID 63543671
1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-4-methylbenzene
CID 66041066
1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene
CID 142218123
1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene
CID 66033709
1-[2-(bromomethyl)-5-methylhexyl]-2-methoxybenzene
CID 66041959
[2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane
CID 106324211
2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene
CID 66042131
4-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-2-fluoro-1-methoxybenzene
CID 66043530

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene?
The IUPAC name of 1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene (CID 66041110) is 1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene?
The canonical SMILES for 1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene is COc1ccccc1CC(CBr)Cc1cccc(F)c1.
What is the InChIKey of 1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene?
The InChIKey is ATNOHXAGADUWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO/c1-20-17-8-3-2-6-15(17)10-14(12-18)9-13-5-4-7-16(19)11-13/h2-8,11,14H,9-10,12H2,1H3.
What are the key properties of 1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene?
1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene has a molecular weight of 337.23 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene is sourced from PubChem (CID 66041110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).