2-(3-chloro-2-propoxycyclobutyl)oxynaphthalene

C17H19ClO2 — CID 107942743

IUPAC2-(3-chloro-2-propoxycyclobutyl)oxynaphthalene
SMILESCCCOC1C(Cl)CC1Oc1ccc2ccccc2c1
InChIInChI=1S/C17H19ClO2/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
InChIKeyAXFMZKJQOZLODV-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.39
Rot. Bonds5

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

2-(3-chloro-2-propoxycyclobutyl)oxynaphthalene (PubChem CID 107942743) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-(3-chloro-2-propoxycyclobutyl)oxynaphthalene.

Molecular Properties

Compound Name2-(3-chloro-2-propoxycyclobutyl)oxynaphthalene
PubChem CID107942743
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name2-(3-chloro-2-propoxycyclobutyl)oxynaphthalene
SMILESCCCOC1C(Cl)CC1Oc1ccc2ccccc2c1
InChIInChI=1S/C17H19ClO2/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
InChIKeyAXFMZKJQOZLODV-UHFFFAOYSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine
CID 107943277
2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene
CID 107942742
1-(3-chloro-2-propoxycyclobutyl)oxy-4-methoxybenzene
CID 114018894
1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene
CID 107942730
1-(3-chloro-2-propoxycyclobutyl)oxy-3-ethoxybenzene
CID 107942973
2-ethoxy-N-ethyl-3-naphthalen-2-yloxycyclobutan-1-amine
CID 104676053
1-(3-chloro-2-ethoxycyclobutyl)oxy-3-iodobenzene
CID 104675690
1-(3-chloro-2-propoxycyclobutyl)oxyethylbenzene
CID 114018902
3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol
CID 107942506
3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943230
1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane
CID 106207219
3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine
CID 107943680

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-propoxycyclobutyl)oxynaphthalene?
The IUPAC name of 2-(3-chloro-2-propoxycyclobutyl)oxynaphthalene (CID 107942743) is 2-(3-chloro-2-propoxycyclobutyl)oxynaphthalene.
What is the SMILES notation for 2-(3-chloro-2-propoxycyclobutyl)oxynaphthalene?
The canonical SMILES for 2-(3-chloro-2-propoxycyclobutyl)oxynaphthalene is CCCOC1C(Cl)CC1Oc1ccc2ccccc2c1.
What is the InChIKey of 2-(3-chloro-2-propoxycyclobutyl)oxynaphthalene?
The InChIKey is AXFMZKJQOZLODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/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-chloro-2-propoxycyclobutyl)oxynaphthalene?
2-(3-chloro-2-propoxycyclobutyl)oxynaphthalene has a molecular weight of 290.79 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-propoxycyclobutyl)oxynaphthalene is sourced from PubChem (CID 107942743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).