1-phenoxy-4-prop-2-ynylbenzene

C15H12O — CID 23267247

IUPAC1-phenoxy-4-prop-2-ynylbenzene
SMILESC#CCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H12O/c1-2-6-13-9-11-15(12-10-13)16-14-7-4-3-5-8-14/h1,3-5,7-12H,6H2
InChIKeyQKFHORAILCYMBG-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.65
Rot. Bonds3

About 1-phenoxy-4-prop-2-ynylbenzene

1-phenoxy-4-prop-2-ynylbenzene (PubChem CID 23267247) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-phenoxy-4-prop-2-ynylbenzene.

Molecular Properties

Compound Name1-phenoxy-4-prop-2-ynylbenzene
PubChem CID23267247
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name1-phenoxy-4-prop-2-ynylbenzene
SMILESC#CCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H12O/c1-2-6-13-9-11-15(12-10-13)16-14-7-4-3-5-8-14/h1,3-5,7-12H,6H2
InChIKeyQKFHORAILCYMBG-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.65
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-phenoxy-4-prop-2-ynylbenzene?
The IUPAC name of 1-phenoxy-4-prop-2-ynylbenzene (CID 23267247) is 1-phenoxy-4-prop-2-ynylbenzene.
What is the SMILES notation for 1-phenoxy-4-prop-2-ynylbenzene?
The canonical SMILES for 1-phenoxy-4-prop-2-ynylbenzene is C#CCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-phenoxy-4-prop-2-ynylbenzene?
The InChIKey is QKFHORAILCYMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c1-2-6-13-9-11-15(12-10-13)16-14-7-4-3-5-8-14/h1,3-5,7-12H,6H2.
What are the key properties of 1-phenoxy-4-prop-2-ynylbenzene?
1-phenoxy-4-prop-2-ynylbenzene has a molecular weight of 208.26 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-4-prop-2-ynylbenzene is sourced from PubChem (CID 23267247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).