2-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one

C13H12O2 — CID 12949984

IUPAC2-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one
SMILESO=C1C=COC(/C=C/c2ccccc2)C1
InChIInChI=1S/C13H12O2/c14-12-8-9-15-13(10-12)7-6-11-4-2-1-3-5-11/h1-9,13H,10H2/b7-6+
InChIKeyFZAHUWLRLKATJP-VOTSOKGWSA-N
MW200.24 g/mol
LogP2.57
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one

2-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one (PubChem CID 12949984) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one
PubChem CID12949984
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name2-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one
SMILESO=C1C=COC(/C=C/c2ccccc2)C1
InChIInChI=1S/C13H12O2/c14-12-8-9-15-13(10-12)7-6-11-4-2-1-3-5-11/h1-9,13H,10H2/b7-6+
InChIKeyFZAHUWLRLKATJP-VOTSOKGWSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one?
The IUPAC name of 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one (CID 12949984) is 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one is O=C1C=COC(/C=C/c2ccccc2)C1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one?
The InChIKey is FZAHUWLRLKATJP-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H12O2/c14-12-8-9-15-13(10-12)7-6-11-4-2-1-3-5-11/h1-9,13H,10H2/b7-6+.
What are the key properties of 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one?
2-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one has a molecular weight of 200.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one is sourced from PubChem (CID 12949984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).