2-methoxy-6-prop-2-enylnaphthalene

C14H14O — CID 55253268

IUPAC2-methoxy-6-prop-2-enylnaphthalene
SMILESC=CCc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C14H14O/c1-3-4-11-5-6-13-10-14(15-2)8-7-12(13)9-11/h3,5-10H,1,4H2,2H3
InChIKeyDVQOTDYKJNEHNJ-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.58
Rot. Bonds3

About 2-methoxy-6-prop-2-enylnaphthalene

2-methoxy-6-prop-2-enylnaphthalene (PubChem CID 55253268) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-methoxy-6-prop-2-enylnaphthalene.

Molecular Properties

Compound Name2-methoxy-6-prop-2-enylnaphthalene
PubChem CID55253268
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name2-methoxy-6-prop-2-enylnaphthalene
SMILESC=CCc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C14H14O/c1-3-4-11-5-6-13-10-14(15-2)8-7-12(13)9-11/h3,5-10H,1,4H2,2H3
InChIKeyDVQOTDYKJNEHNJ-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-prop-2-enylnaphthalene?
The IUPAC name of 2-methoxy-6-prop-2-enylnaphthalene (CID 55253268) is 2-methoxy-6-prop-2-enylnaphthalene.
What is the SMILES notation for 2-methoxy-6-prop-2-enylnaphthalene?
The canonical SMILES for 2-methoxy-6-prop-2-enylnaphthalene is C=CCc1ccc2cc(OC)ccc2c1.
What is the InChIKey of 2-methoxy-6-prop-2-enylnaphthalene?
The InChIKey is DVQOTDYKJNEHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-3-4-11-5-6-13-10-14(15-2)8-7-12(13)9-11/h3,5-10H,1,4H2,2H3.
What are the key properties of 2-methoxy-6-prop-2-enylnaphthalene?
2-methoxy-6-prop-2-enylnaphthalene has a molecular weight of 198.26 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-prop-2-enylnaphthalene is sourced from PubChem (CID 55253268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).