2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene

C17H19BrO2 — CID 107942742

IUPAC2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene
SMILESCCCOC1C(Br)CC1Oc1ccc2ccccc2c1
InChIInChI=1S/C17H19BrO2/c1-2-9-19-17-15(18)11-16(17)20-14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10,15-17H,2,9,11H2,1H3
InChIKeyKZHNSAXQWSRIOO-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.55
Rot. Bonds5

About 2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene

2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene (PubChem CID 107942742) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene.

Molecular Properties

Compound Name2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene
PubChem CID107942742
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene
SMILESCCCOC1C(Br)CC1Oc1ccc2ccccc2c1
InChIInChI=1S/C17H19BrO2/c1-2-9-19-17-15(18)11-16(17)20-14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10,15-17H,2,9,11H2,1H3
InChIKeyKZHNSAXQWSRIOO-UHFFFAOYSA-N
XLogP4.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene?
The IUPAC name of 2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene (CID 107942742) is 2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene.
What is the SMILES notation for 2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene?
The canonical SMILES for 2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene is CCCOC1C(Br)CC1Oc1ccc2ccccc2c1.
What is the InChIKey of 2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene?
The InChIKey is KZHNSAXQWSRIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-2-9-19-17-15(18)11-16(17)20-14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10,15-17H,2,9,11H2,1H3.
What are the key properties of 2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene?
2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene has a molecular weight of 335.24 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene is sourced from PubChem (CID 107942742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).