(2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one

C15H16O3 — CID 163190912

IUPAC(2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
SMILESCOC1=C(C)C(=O)O[C@@H](/C=C/c2ccccc2)C1
InChIInChI=1S/C15H16O3/c1-11-14(17-2)10-13(18-15(11)16)9-8-12-6-4-3-5-7-12/h3-9,13H,10H2,1-2H3/b9-8+/t13-/m0/s1
InChIKeyCSMBYJHAWMUEKM-XEHSLEBBSA-N
MW244.29 g/mol
LogP2.94
Rot. Bonds3

About (2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one

(2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one (PubChem CID 163190912) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
PubChem CID163190912
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
SMILESCOC1=C(C)C(=O)O[C@@H](/C=C/c2ccccc2)C1
InChIInChI=1S/C15H16O3/c1-11-14(17-2)10-13(18-15(11)16)9-8-12-6-4-3-5-7-12/h3-9,13H,10H2,1-2H3/b9-8+/t13-/m0/s1
InChIKeyCSMBYJHAWMUEKM-XEHSLEBBSA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one (CID 163190912) is (2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one is COC1=C(C)C(=O)O[C@@H](/C=C/c2ccccc2)C1.
What is the InChIKey of (2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one?
The InChIKey is CSMBYJHAWMUEKM-XEHSLEBBSA-N. The full InChI is InChI=1S/C15H16O3/c1-11-14(17-2)10-13(18-15(11)16)9-8-12-6-4-3-5-7-12/h3-9,13H,10H2,1-2H3/b9-8+/t13-/m0/s1.
What are the key properties of (2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one?
(2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one has a molecular weight of 244.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 163190912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).