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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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).