1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene

C15H12Br2 — CID 123587907

IUPAC1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene
SMILESC=Cc1c(C=CC)c(Br)c2ccccc2c1Br
InChIInChI=1S/C15H12Br2/c1-3-7-11-10(4-2)14(16)12-8-5-6-9-13(12)15(11)17/h3-9H,2H2,1H3
InChIKeyYVESGVQZCIXYKA-UHFFFAOYSA-N
MW352.07 g/mol
LogP6.04
Rot. Bonds2

About 1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene

1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene (PubChem CID 123587907) has the molecular formula C15H12Br2 and a molecular weight of 352.07 g/mol. Its IUPAC name is 1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene.

Molecular Properties

Compound Name1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene
PubChem CID123587907
Molecular FormulaC15H12Br2
Molecular Weight352.07 g/mol
Exact Mass349.93
IUPAC Name1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene
SMILESC=Cc1c(C=CC)c(Br)c2ccccc2c1Br
InChIInChI=1S/C15H12Br2/c1-3-7-11-10(4-2)14(16)12-8-5-6-9-13(12)15(11)17/h3-9H,2H2,1H3
InChIKeyYVESGVQZCIXYKA-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.07
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline
CID 130291492
2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile
CID 145213372
9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 153357607
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline
CID 145189562
7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran
CID 145373970
1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene
CID 143613386
3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione
CID 143318864
[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid
CID 145237300
1,2-bis[(E)-prop-1-enyl]naphthalene
CID 19743380
2-methyl-1-prop-1-enylnaphthalene
CID 123646968
ethene;2-ethenyl-3-[(Z)-prop-1-enyl]-1,10-dihydropyrrolo[2,3-a]carbazole;methane
CID 145126089
ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene
CID 143743010

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene?
The IUPAC name of 1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene (CID 123587907) is 1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene.
What is the SMILES notation for 1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene?
The canonical SMILES for 1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene is C=Cc1c(C=CC)c(Br)c2ccccc2c1Br.
What is the InChIKey of 1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene?
The InChIKey is YVESGVQZCIXYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2/c1-3-7-11-10(4-2)14(16)12-8-5-6-9-13(12)15(11)17/h3-9H,2H2,1H3.
What are the key properties of 1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene?
1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene has a molecular weight of 352.07 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene is sourced from PubChem (CID 123587907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).