2-bromo-6-[2-(bromomethyl)butoxy]naphthalene

C15H16Br2O — CID 64995269

IUPAC2-bromo-6-[2-(bromomethyl)butoxy]naphthalene
SMILESCCC(CBr)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H16Br2O/c1-2-11(9-16)10-18-15-6-4-12-7-14(17)5-3-13(12)8-15/h3-8,11H,2,9-10H2,1H3
InChIKeyKOGNLVZBUQQOFD-UHFFFAOYSA-N
MW372.10 g/mol
LogP5.40
Rot. Bonds5

About 2-bromo-6-[2-(bromomethyl)butoxy]naphthalene

2-bromo-6-[2-(bromomethyl)butoxy]naphthalene (PubChem CID 64995269) has the molecular formula C15H16Br2O and a molecular weight of 372.10 g/mol. Its IUPAC name is 2-bromo-6-[2-(bromomethyl)butoxy]naphthalene.

Molecular Properties

Compound Name2-bromo-6-[2-(bromomethyl)butoxy]naphthalene
PubChem CID64995269
Molecular FormulaC15H16Br2O
Molecular Weight372.10 g/mol
Exact Mass369.96
IUPAC Name2-bromo-6-[2-(bromomethyl)butoxy]naphthalene
SMILESCCC(CBr)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H16Br2O/c1-2-11(9-16)10-18-15-6-4-12-7-14(17)5-3-13(12)8-15/h3-8,11H,2,9-10H2,1H3
InChIKeyKOGNLVZBUQQOFD-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.10
LogP ≤ 55.40
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

4-[2-(bromomethyl)butoxy]-1,2-dimethylbenzene
CID 64994734
1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
CID 65278074
2-bromo-7-ethoxynaphthalene
CID 22240149
4-[2-(bromomethyl)butoxy]-1,2-difluorobenzene
CID 64995343
1-[2-(bromomethyl)butoxy]-4-tert-butylbenzene
CID 64995324
1-bromo-4-[2-(bromomethyl)pentoxy]benzene
CID 65010976
3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine
CID 62459947
4-[2-(bromomethyl)butoxy]benzonitrile
CID 64994964
2-bromo-6-(ethoxymethoxy)naphthalene
CID 65369248
1-[5-bromo-2-[2-(bromomethyl)butoxy]phenyl]ethanone
CID 64995105
2-bromo-6-(methoxymethoxy)naphthalene
CID 14499197
2-[(3-bromophenoxy)methyl]butan-1-ol
CID 117241907

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-(bromomethyl)butoxy]naphthalene?
The IUPAC name of 2-bromo-6-[2-(bromomethyl)butoxy]naphthalene (CID 64995269) is 2-bromo-6-[2-(bromomethyl)butoxy]naphthalene.
What is the SMILES notation for 2-bromo-6-[2-(bromomethyl)butoxy]naphthalene?
The canonical SMILES for 2-bromo-6-[2-(bromomethyl)butoxy]naphthalene is CCC(CBr)COc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-bromo-6-[2-(bromomethyl)butoxy]naphthalene?
The InChIKey is KOGNLVZBUQQOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2O/c1-2-11(9-16)10-18-15-6-4-12-7-14(17)5-3-13(12)8-15/h3-8,11H,2,9-10H2,1H3.
What are the key properties of 2-bromo-6-[2-(bromomethyl)butoxy]naphthalene?
2-bromo-6-[2-(bromomethyl)butoxy]naphthalene has a molecular weight of 372.10 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-(bromomethyl)butoxy]naphthalene is sourced from PubChem (CID 64995269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).