1-bromo-4-propan-2-yloxynaphthalene

C13H13BrO — CID 15341859

IUPAC1-bromo-4-propan-2-yloxynaphthalene
SMILESCC(C)Oc1ccc(Br)c2ccccc12
InChIInChI=1S/C13H13BrO/c1-9(2)15-13-8-7-12(14)10-5-3-4-6-11(10)13/h3-9H,1-2H3
InChIKeyNHMHRFXDFPTMIM-UHFFFAOYSA-N
MW265.15 g/mol
LogP4.39
Rot. Bonds2

About 1-bromo-4-propan-2-yloxynaphthalene

1-bromo-4-propan-2-yloxynaphthalene (PubChem CID 15341859) has the molecular formula C13H13BrO and a molecular weight of 265.15 g/mol. Its IUPAC name is 1-bromo-4-propan-2-yloxynaphthalene.

Molecular Properties

Compound Name1-bromo-4-propan-2-yloxynaphthalene
PubChem CID15341859
Molecular FormulaC13H13BrO
Molecular Weight265.15 g/mol
Exact Mass264.01
IUPAC Name1-bromo-4-propan-2-yloxynaphthalene
SMILESCC(C)Oc1ccc(Br)c2ccccc12
InChIInChI=1S/C13H13BrO/c1-9(2)15-13-8-7-12(14)10-5-3-4-6-11(10)13/h3-9H,1-2H3
InChIKeyNHMHRFXDFPTMIM-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-propan-2-yloxynaphthalene?
The IUPAC name of 1-bromo-4-propan-2-yloxynaphthalene (CID 15341859) is 1-bromo-4-propan-2-yloxynaphthalene.
What is the SMILES notation for 1-bromo-4-propan-2-yloxynaphthalene?
The canonical SMILES for 1-bromo-4-propan-2-yloxynaphthalene is CC(C)Oc1ccc(Br)c2ccccc12.
What is the InChIKey of 1-bromo-4-propan-2-yloxynaphthalene?
The InChIKey is NHMHRFXDFPTMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO/c1-9(2)15-13-8-7-12(14)10-5-3-4-6-11(10)13/h3-9H,1-2H3.
What are the key properties of 1-bromo-4-propan-2-yloxynaphthalene?
1-bromo-4-propan-2-yloxynaphthalene has a molecular weight of 265.15 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-propan-2-yloxynaphthalene is sourced from PubChem (CID 15341859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).