3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane

C14H13ClO2 — CID 116876570

IUPAC3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane
SMILESCOc1ccc2cc(C3(Cl)COC3)ccc2c1
InChIInChI=1S/C14H13ClO2/c1-16-13-5-3-10-6-12(4-2-11(10)7-13)14(15)8-17-9-14/h2-7H,8-9H2,1H3
InChIKeyIIRFYCIWCKVSCZ-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.31
Rot. Bonds2

About 3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane

3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane (PubChem CID 116876570) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is 3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane.

Molecular Properties

Compound Name3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane
PubChem CID116876570
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane
SMILESCOc1ccc2cc(C3(Cl)COC3)ccc2c1
InChIInChI=1S/C14H13ClO2/c1-16-13-5-3-10-6-12(4-2-11(10)7-13)14(15)8-17-9-14/h2-7H,8-9H2,1H3
InChIKeyIIRFYCIWCKVSCZ-UHFFFAOYSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.31
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-methoxy-3-(6-methoxynaphthalen-2-yl)oxetane
CID 116876018
1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine
CID 116869429
3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid
CID 116871824
3-(6-methoxynaphthalen-2-yl)azetidin-3-amine
CID 166607932
2-[(1S)-1-bromoethyl]-2-(6-methoxynaphthalen-2-yl)-5,5-dimethyl-1,3-dioxane
CID 54472939
2-[(1S)-1-bromoethyl]-2-(6-methoxynaphthalen-2-yl)-1,3-dioxolane
CID 18602098
[1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol
CID 116842587
4-(6-methoxynaphthalen-2-yl)piperidin-4-ol;hydrochloride
CID 142647916
2-(1-chloroethyl)-2-(6-methoxynaphthalen-2-yl)-4-methyl-1,3-dioxolane
CID 19763892
5-methoxy-2H-isoindole
CID 122462019
2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid
CID 62387826
[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol
CID 168870342

Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane?
The IUPAC name of 3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane (CID 116876570) is 3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane.
What is the SMILES notation for 3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane?
The canonical SMILES for 3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane is COc1ccc2cc(C3(Cl)COC3)ccc2c1.
What is the InChIKey of 3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane?
The InChIKey is IIRFYCIWCKVSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-16-13-5-3-10-6-12(4-2-11(10)7-13)14(15)8-17-9-14/h2-7H,8-9H2,1H3.
What are the key properties of 3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane?
3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane has a molecular weight of 248.71 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane is sourced from PubChem (CID 116876570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).