1-(4-bromobut-1-enyl)-2-methylnaphthalene

C15H15Br — CID 170498133

IUPAC1-(4-bromobut-1-enyl)-2-methylnaphthalene
SMILESCc1ccc2ccccc2c1C=CCCBr
InChIInChI=1S/C15H15Br/c1-12-9-10-13-6-2-3-8-15(13)14(12)7-4-5-11-16/h2-4,6-10H,5,11H2,1H3
InChIKeyYDXIXOYYYUMOFA-UHFFFAOYSA-N
MW275.19 g/mol
LogP4.95
Rot. Bonds3

About 1-(4-bromobut-1-enyl)-2-methylnaphthalene

1-(4-bromobut-1-enyl)-2-methylnaphthalene (PubChem CID 170498133) has the molecular formula C15H15Br and a molecular weight of 275.19 g/mol. Its IUPAC name is 1-(4-bromobut-1-enyl)-2-methylnaphthalene.

Molecular Properties

Compound Name1-(4-bromobut-1-enyl)-2-methylnaphthalene
PubChem CID170498133
Molecular FormulaC15H15Br
Molecular Weight275.19 g/mol
Exact Mass274.04
IUPAC Name1-(4-bromobut-1-enyl)-2-methylnaphthalene
SMILESCc1ccc2ccccc2c1C=CCCBr
InChIInChI=1S/C15H15Br/c1-12-9-10-13-6-2-3-8-15(13)14(12)7-4-5-11-16/h2-4,6-10H,5,11H2,1H3
InChIKeyYDXIXOYYYUMOFA-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 54.95
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

9-(4-bromobut-1-enyl)anthracene
CID 170498426
2-methyl-1-prop-1-enylnaphthalene
CID 123646968
3-(2-methylnaphthalen-1-yl)prop-2-enal
CID 169459674
9-(3-bromoprop-1-enyl)anthracene
CID 169476418
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
1-[(Z)-but-1-enyl]-2,10-dimethylanthracene
CID 145447971
9-pent-1-enylanthracene
CID 173045692
1-ethenyl-2-methylphenanthrene
CID 18927842
2-ethyl-1-[(E)-hex-1-enyl]naphthalene
CID 166460669
1,2-dimethylnaphthalene;ethane;propane
CID 90958253
(E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid
CID 170873203
(E)-1-(2-methylnaphthalen-1-yl)prop-1-en-2-amine
CID 155088802

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobut-1-enyl)-2-methylnaphthalene?
The IUPAC name of 1-(4-bromobut-1-enyl)-2-methylnaphthalene (CID 170498133) is 1-(4-bromobut-1-enyl)-2-methylnaphthalene.
What is the SMILES notation for 1-(4-bromobut-1-enyl)-2-methylnaphthalene?
The canonical SMILES for 1-(4-bromobut-1-enyl)-2-methylnaphthalene is Cc1ccc2ccccc2c1C=CCCBr.
What is the InChIKey of 1-(4-bromobut-1-enyl)-2-methylnaphthalene?
The InChIKey is YDXIXOYYYUMOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br/c1-12-9-10-13-6-2-3-8-15(13)14(12)7-4-5-11-16/h2-4,6-10H,5,11H2,1H3.
What are the key properties of 1-(4-bromobut-1-enyl)-2-methylnaphthalene?
1-(4-bromobut-1-enyl)-2-methylnaphthalene has a molecular weight of 275.19 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobut-1-enyl)-2-methylnaphthalene is sourced from PubChem (CID 170498133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).