2-but-3-en-2-yl-6-methoxynaphthalene

C15H16O — CID 607585

IUPAC2-but-3-en-2-yl-6-methoxynaphthalene
SMILESC=CC(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C15H16O/c1-4-11(2)12-5-6-14-10-15(16-3)8-7-13(14)9-12/h4-11H,1H2,2-3H3
InChIKeyVVEHMVOLEBRUQR-UHFFFAOYSA-N
MW212.29 g/mol
LogP4.14
Rot. Bonds3

About 2-but-3-en-2-yl-6-methoxynaphthalene

2-but-3-en-2-yl-6-methoxynaphthalene (PubChem CID 607585) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-but-3-en-2-yl-6-methoxynaphthalene.

Molecular Properties

Compound Name2-but-3-en-2-yl-6-methoxynaphthalene
PubChem CID607585
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name2-but-3-en-2-yl-6-methoxynaphthalene
SMILESC=CC(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C15H16O/c1-4-11(2)12-5-6-14-10-15(16-3)8-7-13(14)9-12/h4-11H,1H2,2-3H3
InChIKeyVVEHMVOLEBRUQR-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-but-3-en-2-yl-6-methoxynaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yl-6-methoxynaphthalene?
The IUPAC name of 2-but-3-en-2-yl-6-methoxynaphthalene (CID 607585) is 2-but-3-en-2-yl-6-methoxynaphthalene.
What is the SMILES notation for 2-but-3-en-2-yl-6-methoxynaphthalene?
The canonical SMILES for 2-but-3-en-2-yl-6-methoxynaphthalene is C=CC(C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 2-but-3-en-2-yl-6-methoxynaphthalene?
The InChIKey is VVEHMVOLEBRUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-4-11(2)12-5-6-14-10-15(16-3)8-7-13(14)9-12/h4-11H,1H2,2-3H3.
What are the key properties of 2-but-3-en-2-yl-6-methoxynaphthalene?
2-but-3-en-2-yl-6-methoxynaphthalene has a molecular weight of 212.29 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yl-6-methoxynaphthalene is sourced from PubChem (CID 607585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).