1-(bromomethyl)-7-ethenylnaphthalene

C13H11Br — CID 139944497

IUPAC1-(bromomethyl)-7-ethenylnaphthalene
SMILESC=Cc1ccc2cccc(CBr)c2c1
InChIInChI=1S/C13H11Br/c1-2-10-6-7-11-4-3-5-12(9-14)13(11)8-10/h2-8H,1,9H2
InChIKeyPMWFHRYVZHVYSJ-UHFFFAOYSA-N
MW247.13 g/mol
LogP4.38
Rot. Bonds2

About 1-(bromomethyl)-7-ethenylnaphthalene

1-(bromomethyl)-7-ethenylnaphthalene (PubChem CID 139944497) has the molecular formula C13H11Br and a molecular weight of 247.13 g/mol. Its IUPAC name is 1-(bromomethyl)-7-ethenylnaphthalene.

Molecular Properties

Compound Name1-(bromomethyl)-7-ethenylnaphthalene
PubChem CID139944497
Molecular FormulaC13H11Br
Molecular Weight247.13 g/mol
Exact Mass246.00
IUPAC Name1-(bromomethyl)-7-ethenylnaphthalene
SMILESC=Cc1ccc2cccc(CBr)c2c1
InChIInChI=1S/C13H11Br/c1-2-10-6-7-11-4-3-5-12(9-14)13(11)8-10/h2-8H,1,9H2
InChIKeyPMWFHRYVZHVYSJ-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-7-ethenylnaphthalene
CID 54488465
2-ethenylhexahelicene
CID 71739612
2-(bromomethyl)-6-ethenylnaphthalene
CID 139944485
2-(bromomethyl)-4-ethenyl-1-methylbenzene
CID 139992255
2,6-bis(ethenyl)anthracene
CID 102227749
ethane;7-ethenylisochromen-1-one
CID 178177183
7-ethenylisochromen-1-one
CID 178177184
1-(bromomethyl)-6-fluoro-7-methoxynaphthalene
CID 54526518
1,3-bis(ethenyl)benzene;platinum;hexahydrochloride
CID 175502891
1-chloro-2-(chloromethyl)-6-ethenylnaphthalene
CID 66808425
1-(4-bromobut-1-enyl)-3-ethenylbenzene
CID 170497014
1-prop-2-enyltetracene
CID 162689403

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-7-ethenylnaphthalene?
The IUPAC name of 1-(bromomethyl)-7-ethenylnaphthalene (CID 139944497) is 1-(bromomethyl)-7-ethenylnaphthalene.
What is the SMILES notation for 1-(bromomethyl)-7-ethenylnaphthalene?
The canonical SMILES for 1-(bromomethyl)-7-ethenylnaphthalene is C=Cc1ccc2cccc(CBr)c2c1.
What is the InChIKey of 1-(bromomethyl)-7-ethenylnaphthalene?
The InChIKey is PMWFHRYVZHVYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br/c1-2-10-6-7-11-4-3-5-12(9-14)13(11)8-10/h2-8H,1,9H2.
What are the key properties of 1-(bromomethyl)-7-ethenylnaphthalene?
1-(bromomethyl)-7-ethenylnaphthalene has a molecular weight of 247.13 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-7-ethenylnaphthalene is sourced from PubChem (CID 139944497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).