1-bromo-5-prop-1-en-2-ylnaphthalene

C13H11Br — CID 13454953

IUPAC1-bromo-5-prop-1-en-2-ylnaphthalene
SMILESC=C(C)c1cccc2c(Br)cccc12
InChIInChI=1S/C13H11Br/c1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14/h3-8H,1H2,2H3
InChIKeyQKVSJZPQEOAXKT-UHFFFAOYSA-N
MW247.13 g/mol
LogP4.64
Rot. Bonds1

About 1-bromo-5-prop-1-en-2-ylnaphthalene

1-bromo-5-prop-1-en-2-ylnaphthalene (PubChem CID 13454953) has the molecular formula C13H11Br and a molecular weight of 247.13 g/mol. Its IUPAC name is 1-bromo-5-prop-1-en-2-ylnaphthalene.

Molecular Properties

Compound Name1-bromo-5-prop-1-en-2-ylnaphthalene
PubChem CID13454953
Molecular FormulaC13H11Br
Molecular Weight247.13 g/mol
Exact Mass246.00
IUPAC Name1-bromo-5-prop-1-en-2-ylnaphthalene
SMILESC=C(C)c1cccc2c(Br)cccc12
InChIInChI=1S/C13H11Br/c1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14/h3-8H,1H2,2H3
InChIKeyQKVSJZPQEOAXKT-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-prop-1-en-2-ylnaphthalene?
The IUPAC name of 1-bromo-5-prop-1-en-2-ylnaphthalene (CID 13454953) is 1-bromo-5-prop-1-en-2-ylnaphthalene.
What is the SMILES notation for 1-bromo-5-prop-1-en-2-ylnaphthalene?
The canonical SMILES for 1-bromo-5-prop-1-en-2-ylnaphthalene is C=C(C)c1cccc2c(Br)cccc12.
What is the InChIKey of 1-bromo-5-prop-1-en-2-ylnaphthalene?
The InChIKey is QKVSJZPQEOAXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br/c1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14/h3-8H,1H2,2H3.
What are the key properties of 1-bromo-5-prop-1-en-2-ylnaphthalene?
1-bromo-5-prop-1-en-2-ylnaphthalene has a molecular weight of 247.13 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-prop-1-en-2-ylnaphthalene is sourced from PubChem (CID 13454953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).