(2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one

C14H14O3 — CID 5281565

IUPAC(2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)O[C@@H](/C=C/c2ccccc2)C1
InChIInChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t12-/m0/s1
InChIKeyXEAQIWGXBXCYFX-GUOLPTJISA-N
MW230.26 g/mol
LogP2.55
Rot. Bonds3

About (2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one

(2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one (PubChem CID 5281565) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
PubChem CID5281565
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name(2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)O[C@@H](/C=C/c2ccccc2)C1
InChIInChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t12-/m0/s1
InChIKeyXEAQIWGXBXCYFX-GUOLPTJISA-N
XLogP2.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one (CID 5281565) is (2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one is COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)C1.
What is the InChIKey of (2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one?
The InChIKey is XEAQIWGXBXCYFX-GUOLPTJISA-N. The full InChI is InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t12-/m0/s1.
What are the key properties of (2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one?
(2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one has a molecular weight of 230.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 5281565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).