2,3-bis(2-phenylethenyl)-2H-pyran

C21H18O — CID 68832788

IUPAC2,3-bis(2-phenylethenyl)-2H-pyran
SMILESC1=COC(C=Cc2ccccc2)C(C=Cc2ccccc2)=C1
InChIInChI=1S/C21H18O/c1-3-8-18(9-4-1)13-15-20-12-7-17-22-21(20)16-14-19-10-5-2-6-11-19/h1-17,21H
InChIKeyXLPRHKBGTOHSNP-UHFFFAOYSA-N
MW286.37 g/mol
LogP5.25
Rot. Bonds4

About 2,3-bis(2-phenylethenyl)-2H-pyran

2,3-bis(2-phenylethenyl)-2H-pyran (PubChem CID 68832788) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is 2,3-bis(2-phenylethenyl)-2H-pyran.

Molecular Properties

Compound Name2,3-bis(2-phenylethenyl)-2H-pyran
PubChem CID68832788
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name2,3-bis(2-phenylethenyl)-2H-pyran
SMILESC1=COC(C=Cc2ccccc2)C(C=Cc2ccccc2)=C1
InChIInChI=1S/C21H18O/c1-3-8-18(9-4-1)13-15-20-12-7-17-22-21(20)16-14-19-10-5-2-6-11-19/h1-17,21H
InChIKeyXLPRHKBGTOHSNP-UHFFFAOYSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-phenylethenyl)-2H-pyran?
The IUPAC name of 2,3-bis(2-phenylethenyl)-2H-pyran (CID 68832788) is 2,3-bis(2-phenylethenyl)-2H-pyran.
What is the SMILES notation for 2,3-bis(2-phenylethenyl)-2H-pyran?
The canonical SMILES for 2,3-bis(2-phenylethenyl)-2H-pyran is C1=COC(C=Cc2ccccc2)C(C=Cc2ccccc2)=C1.
What is the InChIKey of 2,3-bis(2-phenylethenyl)-2H-pyran?
The InChIKey is XLPRHKBGTOHSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O/c1-3-8-18(9-4-1)13-15-20-12-7-17-22-21(20)16-14-19-10-5-2-6-11-19/h1-17,21H.
What are the key properties of 2,3-bis(2-phenylethenyl)-2H-pyran?
2,3-bis(2-phenylethenyl)-2H-pyran has a molecular weight of 286.37 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-phenylethenyl)-2H-pyran is sourced from PubChem (CID 68832788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).