2-ethoxynaphthalene

C24H24O2 — CID 118978197

IUPAC2-ethoxynaphthalene
SMILESCCOc1ccc2ccccc2c1.CCOc1ccc2ccccc2c1
InChIInChI=1S/2C12H12O/c2*1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h2*3-9H,2H2,1H3
InChIKeyXPPUVWOJJXLDNH-UHFFFAOYSA-N
MW344.45 g/mol
LogP6.48
Rot. Bonds4

About 2-ethoxynaphthalene

2-ethoxynaphthalene (PubChem CID 118978197) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-ethoxynaphthalene.

Molecular Properties

Compound Name2-ethoxynaphthalene
PubChem CID118978197
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name2-ethoxynaphthalene
SMILESCCOc1ccc2ccccc2c1.CCOc1ccc2ccccc2c1
InChIInChI=1S/2C12H12O/c2*1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h2*3-9H,2H2,1H3
InChIKeyXPPUVWOJJXLDNH-UHFFFAOYSA-N
XLogP6.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxynaphthalene?
The IUPAC name of 2-ethoxynaphthalene (CID 118978197) is 2-ethoxynaphthalene.
What is the SMILES notation for 2-ethoxynaphthalene?
The canonical SMILES for 2-ethoxynaphthalene is CCOc1ccc2ccccc2c1.CCOc1ccc2ccccc2c1.
What is the InChIKey of 2-ethoxynaphthalene?
The InChIKey is XPPUVWOJJXLDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12O/c2*1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h2*3-9H,2H2,1H3.
What are the key properties of 2-ethoxynaphthalene?
2-ethoxynaphthalene has a molecular weight of 344.45 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxynaphthalene is sourced from PubChem (CID 118978197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).