8-but-2-enyl-3-methoxy-1-methylnaphthalene

C16H18O — CID 129018269

IUPAC8-but-2-enyl-3-methoxy-1-methylnaphthalene
SMILESCC=CCc1cccc2cc(OC)cc(C)c12
InChIInChI=1S/C16H18O/c1-4-5-7-13-8-6-9-14-11-15(17-3)10-12(2)16(13)14/h4-6,8-11H,7H2,1-3H3
InChIKeyVXZPYOOPHHJCDR-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.28
Rot. Bonds3

About 8-but-2-enyl-3-methoxy-1-methylnaphthalene

8-but-2-enyl-3-methoxy-1-methylnaphthalene (PubChem CID 129018269) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 8-but-2-enyl-3-methoxy-1-methylnaphthalene.

Molecular Properties

Compound Name8-but-2-enyl-3-methoxy-1-methylnaphthalene
PubChem CID129018269
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name8-but-2-enyl-3-methoxy-1-methylnaphthalene
SMILESCC=CCc1cccc2cc(OC)cc(C)c12
InChIInChI=1S/C16H18O/c1-4-5-7-13-8-6-9-14-11-15(17-3)10-12(2)16(13)14/h4-6,8-11H,7H2,1-3H3
InChIKeyVXZPYOOPHHJCDR-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-but-2-enyl-3-methoxy-1-methylnaphthalene 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 8-but-2-enyl-3-methoxy-1-methylnaphthalene?
The IUPAC name of 8-but-2-enyl-3-methoxy-1-methylnaphthalene (CID 129018269) is 8-but-2-enyl-3-methoxy-1-methylnaphthalene.
What is the SMILES notation for 8-but-2-enyl-3-methoxy-1-methylnaphthalene?
The canonical SMILES for 8-but-2-enyl-3-methoxy-1-methylnaphthalene is CC=CCc1cccc2cc(OC)cc(C)c12.
What is the InChIKey of 8-but-2-enyl-3-methoxy-1-methylnaphthalene?
The InChIKey is VXZPYOOPHHJCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-4-5-7-13-8-6-9-14-11-15(17-3)10-12(2)16(13)14/h4-6,8-11H,7H2,1-3H3.
What are the key properties of 8-but-2-enyl-3-methoxy-1-methylnaphthalene?
8-but-2-enyl-3-methoxy-1-methylnaphthalene has a molecular weight of 226.32 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-but-2-enyl-3-methoxy-1-methylnaphthalene is sourced from PubChem (CID 129018269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).