2-ethenyl-6-methoxynaphthalene

C13H12O — CID 603535

IUPAC2-ethenyl-6-methoxynaphthalene
SMILESC=Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C13H12O/c1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10/h3-9H,1H2,2H3
InChIKeyDGQUMYDUFBBKPK-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.49
Rot. Bonds2

About 2-ethenyl-6-methoxynaphthalene

2-ethenyl-6-methoxynaphthalene (PubChem CID 603535) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-ethenyl-6-methoxynaphthalene.

Molecular Properties

Compound Name2-ethenyl-6-methoxynaphthalene
PubChem CID603535
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name2-ethenyl-6-methoxynaphthalene
SMILESC=Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C13H12O/c1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10/h3-9H,1H2,2H3
InChIKeyDGQUMYDUFBBKPK-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-methoxynaphthalene?
The IUPAC name of 2-ethenyl-6-methoxynaphthalene (CID 603535) is 2-ethenyl-6-methoxynaphthalene.
What is the SMILES notation for 2-ethenyl-6-methoxynaphthalene?
The canonical SMILES for 2-ethenyl-6-methoxynaphthalene is C=Cc1ccc2cc(OC)ccc2c1.
What is the InChIKey of 2-ethenyl-6-methoxynaphthalene?
The InChIKey is DGQUMYDUFBBKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10/h3-9H,1H2,2H3.
What are the key properties of 2-ethenyl-6-methoxynaphthalene?
2-ethenyl-6-methoxynaphthalene has a molecular weight of 184.24 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-methoxynaphthalene is sourced from PubChem (CID 603535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).