2-prop-2-ynoxynaphthalene

C13H10O — CID 15689008

IUPAC2-prop-2-ynoxynaphthalene
SMILESC#CCOc1ccc2ccccc2c1
InChIInChI=1S/C13H10O/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13/h1,3-8,10H,9H2
InChIKeyRACCOFGYHHVUQB-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.85
Rot. Bonds2

About 2-prop-2-ynoxynaphthalene

2-prop-2-ynoxynaphthalene (PubChem CID 15689008) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-prop-2-ynoxynaphthalene.

Molecular Properties

Compound Name2-prop-2-ynoxynaphthalene
PubChem CID15689008
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Name2-prop-2-ynoxynaphthalene
SMILESC#CCOc1ccc2ccccc2c1
InChIInChI=1S/C13H10O/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13/h1,3-8,10H,9H2
InChIKeyRACCOFGYHHVUQB-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.85
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 2-prop-2-ynoxynaphthalene?
The IUPAC name of 2-prop-2-ynoxynaphthalene (CID 15689008) is 2-prop-2-ynoxynaphthalene.
What is the SMILES notation for 2-prop-2-ynoxynaphthalene?
The canonical SMILES for 2-prop-2-ynoxynaphthalene is C#CCOc1ccc2ccccc2c1.
What is the InChIKey of 2-prop-2-ynoxynaphthalene?
The InChIKey is RACCOFGYHHVUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13/h1,3-8,10H,9H2.
What are the key properties of 2-prop-2-ynoxynaphthalene?
2-prop-2-ynoxynaphthalene has a molecular weight of 182.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynoxynaphthalene is sourced from PubChem (CID 15689008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).