3-methoxy-1-phenylprop-2-yn-1-one

C10H8O2 — CID 154279908

IUPAC3-methoxy-1-phenylprop-2-yn-1-one
SMILESCOC#CC(=O)c1ccccc1
InChIInChI=1S/C10H8O2/c1-12-8-7-10(11)9-5-3-2-4-6-9/h2-6H,1H3
InChIKeyQTDKLKRSRFEWRO-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.48
Rot. Bonds1

About 3-methoxy-1-phenylprop-2-yn-1-one

3-methoxy-1-phenylprop-2-yn-1-one (PubChem CID 154279908) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-methoxy-1-phenylprop-2-yn-1-one.

Molecular Properties

Compound Name3-methoxy-1-phenylprop-2-yn-1-one
PubChem CID154279908
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name3-methoxy-1-phenylprop-2-yn-1-one
SMILESCOC#CC(=O)c1ccccc1
InChIInChI=1S/C10H8O2/c1-12-8-7-10(11)9-5-3-2-4-6-9/h2-6H,1H3
InChIKeyQTDKLKRSRFEWRO-UHFFFAOYSA-N
XLogP1.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenylpenta-2,4-diyn-1-one
CID 592950
3-(4-methoxyphenyl)-1-phenyl(213C)prop-2-yn-1-one
CID 101128988
3-chloro-1-phenylprop-2-yn-1-one
CID 15335754
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
4-fluoro-1-phenylbut-2-yn-1-one
CID 67741597
4-fluoro-1-phenylpent-2-yn-1-one
CID 73407849
ethane;methoxymethane;methyl benzoate
CID 90999424
benzoyl benzoate;methylperoxymethane
CID 88758305
1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one
CID 15953221
4-tert-butyl-4-hydroxy-5,5-dimethyl-1-phenylhex-2-yn-1-one
CID 71349301
3-(4-methoxy-2-methylphenyl)-1-phenylprop-2-yn-1-one
CID 102133146

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-phenylprop-2-yn-1-one?
The IUPAC name of 3-methoxy-1-phenylprop-2-yn-1-one (CID 154279908) is 3-methoxy-1-phenylprop-2-yn-1-one.
What is the SMILES notation for 3-methoxy-1-phenylprop-2-yn-1-one?
The canonical SMILES for 3-methoxy-1-phenylprop-2-yn-1-one is COC#CC(=O)c1ccccc1.
What is the InChIKey of 3-methoxy-1-phenylprop-2-yn-1-one?
The InChIKey is QTDKLKRSRFEWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c1-12-8-7-10(11)9-5-3-2-4-6-9/h2-6H,1H3.
What are the key properties of 3-methoxy-1-phenylprop-2-yn-1-one?
3-methoxy-1-phenylprop-2-yn-1-one has a molecular weight of 160.17 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-phenylprop-2-yn-1-one is sourced from PubChem (CID 154279908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).