1-(3-bromo-2-methylprop-1-enyl)naphthalene

C14H13Br — CID 79323656

IUPAC1-(3-bromo-2-methylprop-1-enyl)naphthalene
SMILESCC(=Cc1cccc2ccccc12)CBr
InChIInChI=1S/C14H13Br/c1-11(10-15)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-9H,10H2,1H3
InChIKeyFXJCIXZJMFWYSG-UHFFFAOYSA-N
MW261.16 g/mol
LogP4.64
Rot. Bonds2

About 1-(3-bromo-2-methylprop-1-enyl)naphthalene

1-(3-bromo-2-methylprop-1-enyl)naphthalene (PubChem CID 79323656) has the molecular formula C14H13Br and a molecular weight of 261.16 g/mol. Its IUPAC name is 1-(3-bromo-2-methylprop-1-enyl)naphthalene.

Molecular Properties

Compound Name1-(3-bromo-2-methylprop-1-enyl)naphthalene
PubChem CID79323656
Molecular FormulaC14H13Br
Molecular Weight261.16 g/mol
Exact Mass260.02
IUPAC Name1-(3-bromo-2-methylprop-1-enyl)naphthalene
SMILESCC(=Cc1cccc2ccccc12)CBr
InChIInChI=1S/C14H13Br/c1-11(10-15)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-9H,10H2,1H3
InChIKeyFXJCIXZJMFWYSG-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 54.64
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-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene
CID 79323139
1-(2,2-difluoroethenyl)naphthalene;ethane
CID 91067867
1-(2,2-dibromoethenyl)naphthalene
CID 12642645
1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine
CID 87961483
(Z)-2-bromo-3-naphthalen-1-ylprop-2-enal
CID 101086332
ethyl (E)-2-methyl-3-naphthalen-1-ylprop-2-enoate
CID 88621267
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
acetic acid;ethane;bis(1-ethenylnaphthalene)
CID 91317530
1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene
CID 101059606
1-(2-bromoethenyl)naphthalene
CID 71403351
2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran
CID 79322987
(Z)-2-fluoro-3-naphthalen-1-ylprop-2-enal
CID 11019877

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylprop-1-enyl)naphthalene?
The IUPAC name of 1-(3-bromo-2-methylprop-1-enyl)naphthalene (CID 79323656) is 1-(3-bromo-2-methylprop-1-enyl)naphthalene.
What is the SMILES notation for 1-(3-bromo-2-methylprop-1-enyl)naphthalene?
The canonical SMILES for 1-(3-bromo-2-methylprop-1-enyl)naphthalene is CC(=Cc1cccc2ccccc12)CBr.
What is the InChIKey of 1-(3-bromo-2-methylprop-1-enyl)naphthalene?
The InChIKey is FXJCIXZJMFWYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br/c1-11(10-15)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-9H,10H2,1H3.
What are the key properties of 1-(3-bromo-2-methylprop-1-enyl)naphthalene?
1-(3-bromo-2-methylprop-1-enyl)naphthalene has a molecular weight of 261.16 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylprop-1-enyl)naphthalene is sourced from PubChem (CID 79323656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).