2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane

C15H18Br2O — CID 79559319

IUPAC2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane
SMILESBrCc1cccc(Br)c1OCC1CC2CCC1C2
InChIInChI=1S/C15H18Br2O/c16-8-12-2-1-3-14(17)15(12)18-9-13-7-10-4-5-11(13)6-10/h1-3,10-11,13H,4-9H2
InChIKeyGPJHGBDICDBOFE-UHFFFAOYSA-N
MW374.12 g/mol
LogP5.16
Rot. Bonds4

About 2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane

2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane (PubChem CID 79559319) has the molecular formula C15H18Br2O and a molecular weight of 374.12 g/mol. Its IUPAC name is 2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane
PubChem CID79559319
Molecular FormulaC15H18Br2O
Molecular Weight374.12 g/mol
Exact Mass371.97
IUPAC Name2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane
SMILESBrCc1cccc(Br)c1OCC1CC2CCC1C2
InChIInChI=1S/C15H18Br2O/c16-8-12-2-1-3-14(17)15(12)18-9-13-7-10-4-5-11(13)6-10/h1-3,10-11,13H,4-9H2
InChIKeyGPJHGBDICDBOFE-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.12
LogP ≤ 55.16
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-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608431
2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine
CID 112614818
[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine
CID 79554484
2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine
CID 79562530
N-[[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 79562030
2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898765
1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene
CID 65364520
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine
CID 115960993
2-[2-bromo-6-(bromomethyl)phenoxy]acetonitrile
CID 61392074
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]ethanol
CID 79552161
4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromo-5-ethoxybenzaldehyde
CID 79562638
2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]bicyclo[2.2.1]heptane
CID 102714629

Frequently Asked Questions

What is the IUPAC name of 2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane (CID 79559319) is 2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane is BrCc1cccc(Br)c1OCC1CC2CCC1C2.
What is the InChIKey of 2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane?
The InChIKey is GPJHGBDICDBOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2O/c16-8-12-2-1-3-14(17)15(12)18-9-13-7-10-4-5-11(13)6-10/h1-3,10-11,13H,4-9H2.
What are the key properties of 2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane?
2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane has a molecular weight of 374.12 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 79559319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).