1-prop-2-enyl-2-prop-2-ynoxynaphthalene

C16H14O — CID 71425133

IUPAC1-prop-2-enyl-2-prop-2-ynoxynaphthalene
SMILESC#CCOc1ccc2ccccc2c1CC=C
InChIInChI=1S/C16H14O/c1-3-7-15-14-9-6-5-8-13(14)10-11-16(15)17-12-4-2/h2-3,5-6,8-11H,1,7,12H2
InChIKeyLHBYHPFLVSCCBX-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.58
Rot. Bonds4

About 1-prop-2-enyl-2-prop-2-ynoxynaphthalene

1-prop-2-enyl-2-prop-2-ynoxynaphthalene (PubChem CID 71425133) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-prop-2-enyl-2-prop-2-ynoxynaphthalene.

Molecular Properties

Compound Name1-prop-2-enyl-2-prop-2-ynoxynaphthalene
PubChem CID71425133
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name1-prop-2-enyl-2-prop-2-ynoxynaphthalene
SMILESC#CCOc1ccc2ccccc2c1CC=C
InChIInChI=1S/C16H14O/c1-3-7-15-14-9-6-5-8-13(14)10-11-16(15)17-12-4-2/h2-3,5-6,8-11H,1,7,12H2
InChIKeyLHBYHPFLVSCCBX-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2-prop-2-ynoxynaphthalene?
The IUPAC name of 1-prop-2-enyl-2-prop-2-ynoxynaphthalene (CID 71425133) is 1-prop-2-enyl-2-prop-2-ynoxynaphthalene.
What is the SMILES notation for 1-prop-2-enyl-2-prop-2-ynoxynaphthalene?
The canonical SMILES for 1-prop-2-enyl-2-prop-2-ynoxynaphthalene is C#CCOc1ccc2ccccc2c1CC=C.
What is the InChIKey of 1-prop-2-enyl-2-prop-2-ynoxynaphthalene?
The InChIKey is LHBYHPFLVSCCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-3-7-15-14-9-6-5-8-13(14)10-11-16(15)17-12-4-2/h2-3,5-6,8-11H,1,7,12H2.
What are the key properties of 1-prop-2-enyl-2-prop-2-ynoxynaphthalene?
1-prop-2-enyl-2-prop-2-ynoxynaphthalene has a molecular weight of 222.29 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2-prop-2-ynoxynaphthalene is sourced from PubChem (CID 71425133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).