1-bromo-2-(2-methylprop-2-enoxy)naphthalene

C14H13BrO — CID 15533961

IUPAC1-bromo-2-(2-methylprop-2-enoxy)naphthalene
SMILESC=C(C)COc1ccc2ccccc2c1Br
InChIInChI=1S/C14H13BrO/c1-10(2)9-16-13-8-7-11-5-3-4-6-12(11)14(13)15/h3-8H,1,9H2,2H3
InChIKeyNYZZZUCXORXOPB-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.56
Rot. Bonds3

About 1-bromo-2-(2-methylprop-2-enoxy)naphthalene

1-bromo-2-(2-methylprop-2-enoxy)naphthalene (PubChem CID 15533961) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-bromo-2-(2-methylprop-2-enoxy)naphthalene.

Molecular Properties

Compound Name1-bromo-2-(2-methylprop-2-enoxy)naphthalene
PubChem CID15533961
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name1-bromo-2-(2-methylprop-2-enoxy)naphthalene
SMILESC=C(C)COc1ccc2ccccc2c1Br
InChIInChI=1S/C14H13BrO/c1-10(2)9-16-13-8-7-11-5-3-4-6-12(11)14(13)15/h3-8H,1,9H2,2H3
InChIKeyNYZZZUCXORXOPB-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 54.56
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-(2-methylprop-2-enoxy)naphthalene?
The IUPAC name of 1-bromo-2-(2-methylprop-2-enoxy)naphthalene (CID 15533961) is 1-bromo-2-(2-methylprop-2-enoxy)naphthalene.
What is the SMILES notation for 1-bromo-2-(2-methylprop-2-enoxy)naphthalene?
The canonical SMILES for 1-bromo-2-(2-methylprop-2-enoxy)naphthalene is C=C(C)COc1ccc2ccccc2c1Br.
What is the InChIKey of 1-bromo-2-(2-methylprop-2-enoxy)naphthalene?
The InChIKey is NYZZZUCXORXOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c1-10(2)9-16-13-8-7-11-5-3-4-6-12(11)14(13)15/h3-8H,1,9H2,2H3.
What are the key properties of 1-bromo-2-(2-methylprop-2-enoxy)naphthalene?
1-bromo-2-(2-methylprop-2-enoxy)naphthalene has a molecular weight of 277.16 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-methylprop-2-enoxy)naphthalene is sourced from PubChem (CID 15533961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).