(2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one

C14H14O3 — CID 91990026

IUPAC(2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one
SMILESCOc1ccc(/C=C/[C@@H]2CC=CC(=O)O2)cc1
InChIInChI=1S/C14H14O3/c1-16-12-8-5-11(6-9-12)7-10-13-3-2-4-14(15)17-13/h2,4-10,13H,3H2,1H3/b10-7+/t13-/m0/s1
InChIKeyOQUNGMASRRVTIG-RSPDNQDQSA-N
MW230.26 g/mol
LogP2.58
Rot. Bonds3

About (2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one

(2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one (PubChem CID 91990026) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one
PubChem CID91990026
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name(2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one
SMILESCOc1ccc(/C=C/[C@@H]2CC=CC(=O)O2)cc1
InChIInChI=1S/C14H14O3/c1-16-12-8-5-11(6-9-12)7-10-13-3-2-4-14(15)17-13/h2,4-10,13H,3H2,1H3/b10-7+/t13-/m0/s1
InChIKeyOQUNGMASRRVTIG-RSPDNQDQSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 6440856
(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 11229405
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2,3-dihydropyran-6-one
CID 122677448
2-[(1E,3E)-6-[(4-methoxyphenyl)methoxy]-3-methylhexa-1,3-dienyl]-2,3-dihydropyran-6-one
CID 134832150
(2R)-2-[(Z,3R)-3-[(4-methoxyphenyl)methoxy]-3-[(4R,5S)-5-[(1S)-1-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2,3-dihydropyran-6-one
CID 102278627
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(2S)-2-(methoxymethoxy)-2-methyl-4-[(2R)-6-oxo-2,3-dihydropyran-2-yl]but-3-enal
CID 177426668
4-methoxy-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydropyran-6-one
CID 178114081
(3S)-6-methoxy-3-(2-phenylethenyl)-3,4-dihydroisochromen-1-one
CID 162809905
(2S)-2-[10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
CID 162888365
(3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol
CID 102309158
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one (CID 91990026) is (2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one is COc1ccc(/C=C/[C@@H]2CC=CC(=O)O2)cc1.
What is the InChIKey of (2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one?
The InChIKey is OQUNGMASRRVTIG-RSPDNQDQSA-N. The full InChI is InChI=1S/C14H14O3/c1-16-12-8-5-11(6-9-12)7-10-13-3-2-4-14(15)17-13/h2,4-10,13H,3H2,1H3/b10-7+/t13-/m0/s1.
What are the key properties of (2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one?
(2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one has a molecular weight of 230.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 91990026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).