5-prop-2-ynoxy-1,2-dihydronaphthalene

C13H12O — CID 159545401

IUPAC5-prop-2-ynoxy-1,2-dihydronaphthalene
SMILESC#CCOc1cccc2c1C=CCC2
InChIInChI=1S/C13H12O/c1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)13/h1,4-5,7-9H,3,6,10H2
InChIKeyFGFTUEMSAICXPG-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.66
Rot. Bonds2

About 5-prop-2-ynoxy-1,2-dihydronaphthalene

5-prop-2-ynoxy-1,2-dihydronaphthalene (PubChem CID 159545401) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-prop-2-ynoxy-1,2-dihydronaphthalene.

Molecular Properties

Compound Name5-prop-2-ynoxy-1,2-dihydronaphthalene
PubChem CID159545401
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name5-prop-2-ynoxy-1,2-dihydronaphthalene
SMILESC#CCOc1cccc2c1C=CCC2
InChIInChI=1S/C13H12O/c1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)13/h1,4-5,7-9H,3,6,10H2
InChIKeyFGFTUEMSAICXPG-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-ynoxy-1,2-dihydronaphthalene?
The IUPAC name of 5-prop-2-ynoxy-1,2-dihydronaphthalene (CID 159545401) is 5-prop-2-ynoxy-1,2-dihydronaphthalene.
What is the SMILES notation for 5-prop-2-ynoxy-1,2-dihydronaphthalene?
The canonical SMILES for 5-prop-2-ynoxy-1,2-dihydronaphthalene is C#CCOc1cccc2c1C=CCC2.
What is the InChIKey of 5-prop-2-ynoxy-1,2-dihydronaphthalene?
The InChIKey is FGFTUEMSAICXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)13/h1,4-5,7-9H,3,6,10H2.
What are the key properties of 5-prop-2-ynoxy-1,2-dihydronaphthalene?
5-prop-2-ynoxy-1,2-dihydronaphthalene has a molecular weight of 184.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-ynoxy-1,2-dihydronaphthalene is sourced from PubChem (CID 159545401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).