4-methyl-2-(2-phenylethynyl)-2H-pyran

C14H12O — CID 10821722

IUPAC4-methyl-2-(2-phenylethynyl)-2H-pyran
SMILESCC1=CC(C#Cc2ccccc2)OC=C1
InChIInChI=1S/C14H12O/c1-12-9-10-15-14(11-12)8-7-13-5-3-2-4-6-13/h2-6,9-11,14H,1H3
InChIKeyNZKLNVDFEAEEFB-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.90
Rot. Bonds

About 4-methyl-2-(2-phenylethynyl)-2H-pyran

4-methyl-2-(2-phenylethynyl)-2H-pyran (PubChem CID 10821722) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-methyl-2-(2-phenylethynyl)-2H-pyran.

Molecular Properties

Compound Name4-methyl-2-(2-phenylethynyl)-2H-pyran
PubChem CID10821722
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name4-methyl-2-(2-phenylethynyl)-2H-pyran
SMILESCC1=CC(C#Cc2ccccc2)OC=C1
InChIInChI=1S/C14H12O/c1-12-9-10-15-14(11-12)8-7-13-5-3-2-4-6-13/h2-6,9-11,14H,1H3
InChIKeyNZKLNVDFEAEEFB-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-phenylethynyl)-2H-pyran?
The IUPAC name of 4-methyl-2-(2-phenylethynyl)-2H-pyran (CID 10821722) is 4-methyl-2-(2-phenylethynyl)-2H-pyran.
What is the SMILES notation for 4-methyl-2-(2-phenylethynyl)-2H-pyran?
The canonical SMILES for 4-methyl-2-(2-phenylethynyl)-2H-pyran is CC1=CC(C#Cc2ccccc2)OC=C1.
What is the InChIKey of 4-methyl-2-(2-phenylethynyl)-2H-pyran?
The InChIKey is NZKLNVDFEAEEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c1-12-9-10-15-14(11-12)8-7-13-5-3-2-4-6-13/h2-6,9-11,14H,1H3.
What are the key properties of 4-methyl-2-(2-phenylethynyl)-2H-pyran?
4-methyl-2-(2-phenylethynyl)-2H-pyran has a molecular weight of 196.25 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-phenylethynyl)-2H-pyran is sourced from PubChem (CID 10821722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).