1-methoxynaphthalene;oxetane

C14H16O2 — CID 90030663

IUPAC1-methoxynaphthalene;oxetane
SMILESC1COC1.COc1cccc2ccccc12
InChIInChI=1S/C11H10O.C3H6O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11;1-2-4-3-1/h2-8H,1H3;1-3H2
InChIKeyHQPYFYSXDHEXTC-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.26
Rot. Bonds1

About 1-methoxynaphthalene;oxetane

1-methoxynaphthalene;oxetane (PubChem CID 90030663) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-methoxynaphthalene;oxetane.

Molecular Properties

Compound Name1-methoxynaphthalene;oxetane
PubChem CID90030663
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-methoxynaphthalene;oxetane
SMILESC1COC1.COc1cccc2ccccc12
InChIInChI=1S/C11H10O.C3H6O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11;1-2-4-3-1/h2-8H,1H3;1-3H2
InChIKeyHQPYFYSXDHEXTC-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxynaphthalene;oxetane?
The IUPAC name of 1-methoxynaphthalene;oxetane (CID 90030663) is 1-methoxynaphthalene;oxetane.
What is the SMILES notation for 1-methoxynaphthalene;oxetane?
The canonical SMILES for 1-methoxynaphthalene;oxetane is C1COC1.COc1cccc2ccccc12.
What is the InChIKey of 1-methoxynaphthalene;oxetane?
The InChIKey is HQPYFYSXDHEXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O.C3H6O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11;1-2-4-3-1/h2-8H,1H3;1-3H2.
What are the key properties of 1-methoxynaphthalene;oxetane?
1-methoxynaphthalene;oxetane has a molecular weight of 216.28 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxynaphthalene;oxetane is sourced from PubChem (CID 90030663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).