1,1-diphenylprop-2-ynyl acetate

C17H14O2 — CID 10974515

IUPAC1,1-diphenylprop-2-ynyl acetate
SMILESC#CC(OC(C)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O2/c1-3-17(19-14(2)18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h1,4-13H,2H3
InChIKeyVURCBDQETLTTPF-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.13
Rot. Bonds3

About 1,1-diphenylprop-2-ynyl acetate

1,1-diphenylprop-2-ynyl acetate (PubChem CID 10974515) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1,1-diphenylprop-2-ynyl acetate.

Molecular Properties

Compound Name1,1-diphenylprop-2-ynyl acetate
PubChem CID10974515
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name1,1-diphenylprop-2-ynyl acetate
SMILESC#CC(OC(C)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O2/c1-3-17(19-14(2)18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h1,4-13H,2H3
InChIKeyVURCBDQETLTTPF-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,1-diphenylprop-2-ynyl acetate?
The IUPAC name of 1,1-diphenylprop-2-ynyl acetate (CID 10974515) is 1,1-diphenylprop-2-ynyl acetate.
What is the SMILES notation for 1,1-diphenylprop-2-ynyl acetate?
The canonical SMILES for 1,1-diphenylprop-2-ynyl acetate is C#CC(OC(C)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylprop-2-ynyl acetate?
The InChIKey is VURCBDQETLTTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-3-17(19-14(2)18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h1,4-13H,2H3.
What are the key properties of 1,1-diphenylprop-2-ynyl acetate?
1,1-diphenylprop-2-ynyl acetate has a molecular weight of 250.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylprop-2-ynyl acetate is sourced from PubChem (CID 10974515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).