1-pent-3-yn-2-yloxynaphthalene

C15H14O — CID 21290400

IUPAC1-pent-3-yn-2-yloxynaphthalene
SMILESCC#CC(C)Oc1cccc2ccccc12
InChIInChI=1S/C15H14O/c1-3-7-12(2)16-15-11-6-9-13-8-4-5-10-14(13)15/h4-6,8-12H,1-2H3
InChIKeyBLWWSWFWNWKIHB-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.63
Rot. Bonds2

About 1-pent-3-yn-2-yloxynaphthalene

1-pent-3-yn-2-yloxynaphthalene (PubChem CID 21290400) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-pent-3-yn-2-yloxynaphthalene.

Molecular Properties

Compound Name1-pent-3-yn-2-yloxynaphthalene
PubChem CID21290400
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name1-pent-3-yn-2-yloxynaphthalene
SMILESCC#CC(C)Oc1cccc2ccccc12
InChIInChI=1S/C15H14O/c1-3-7-12(2)16-15-11-6-9-13-8-4-5-10-14(13)15/h4-6,8-12H,1-2H3
InChIKeyBLWWSWFWNWKIHB-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.63
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 1-pent-3-yn-2-yloxynaphthalene?
The IUPAC name of 1-pent-3-yn-2-yloxynaphthalene (CID 21290400) is 1-pent-3-yn-2-yloxynaphthalene.
What is the SMILES notation for 1-pent-3-yn-2-yloxynaphthalene?
The canonical SMILES for 1-pent-3-yn-2-yloxynaphthalene is CC#CC(C)Oc1cccc2ccccc12.
What is the InChIKey of 1-pent-3-yn-2-yloxynaphthalene?
The InChIKey is BLWWSWFWNWKIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-3-7-12(2)16-15-11-6-9-13-8-4-5-10-14(13)15/h4-6,8-12H,1-2H3.
What are the key properties of 1-pent-3-yn-2-yloxynaphthalene?
1-pent-3-yn-2-yloxynaphthalene has a molecular weight of 210.28 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-3-yn-2-yloxynaphthalene is sourced from PubChem (CID 21290400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).