1-bromo-2-prop-2-enoxynaphthalene

C13H11BrO — CID 2268924

IUPAC1-bromo-2-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2ccccc2c1Br
InChIInChI=1S/C13H11BrO/c1-2-9-15-12-8-7-10-5-3-4-6-11(10)13(12)14/h2-8H,1,9H2
InChIKeyYMZZEJOFOBCOTK-UHFFFAOYSA-N
MW263.13 g/mol
LogP4.17
Rot. Bonds3

About 1-bromo-2-prop-2-enoxynaphthalene

1-bromo-2-prop-2-enoxynaphthalene (PubChem CID 2268924) has the molecular formula C13H11BrO and a molecular weight of 263.13 g/mol. Its IUPAC name is 1-bromo-2-prop-2-enoxynaphthalene.

Molecular Properties

Compound Name1-bromo-2-prop-2-enoxynaphthalene
PubChem CID2268924
Molecular FormulaC13H11BrO
Molecular Weight263.13 g/mol
Exact Mass262.00
IUPAC Name1-bromo-2-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2ccccc2c1Br
InChIInChI=1S/C13H11BrO/c1-2-9-15-12-8-7-10-5-3-4-6-11(10)13(12)14/h2-8H,1,9H2
InChIKeyYMZZEJOFOBCOTK-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-prop-2-enoxynaphthalene?
The IUPAC name of 1-bromo-2-prop-2-enoxynaphthalene (CID 2268924) is 1-bromo-2-prop-2-enoxynaphthalene.
What is the SMILES notation for 1-bromo-2-prop-2-enoxynaphthalene?
The canonical SMILES for 1-bromo-2-prop-2-enoxynaphthalene is C=CCOc1ccc2ccccc2c1Br.
What is the InChIKey of 1-bromo-2-prop-2-enoxynaphthalene?
The InChIKey is YMZZEJOFOBCOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO/c1-2-9-15-12-8-7-10-5-3-4-6-11(10)13(12)14/h2-8H,1,9H2.
What are the key properties of 1-bromo-2-prop-2-enoxynaphthalene?
1-bromo-2-prop-2-enoxynaphthalene has a molecular weight of 263.13 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-prop-2-enoxynaphthalene is sourced from PubChem (CID 2268924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).