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

C19H16O4 — CID 125416659

IUPAC(2S)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyran-4-one
SMILESO=C1C=C(/C=C/c2ccc(O)cc2)O[C@H](c2ccc(O)cc2)C1
InChIInChI=1S/C19H16O4/c20-15-6-1-13(2-7-15)3-10-18-11-17(22)12-19(23-18)14-4-8-16(21)9-5-14/h1-11,19-21H,12H2/b10-3+/t19-/m0/s1
InChIKeyXRFSYDSFAJCJHE-OHSBUDFJSA-N
MW308.33 g/mol
LogP3.73
Rot. Bonds3

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

(2S)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyran-4-one (PubChem CID 125416659) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is (2S)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2S)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyran-4-one
PubChem CID125416659
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name(2S)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyran-4-one
SMILESO=C1C=C(/C=C/c2ccc(O)cc2)O[C@H](c2ccc(O)cc2)C1
InChIInChI=1S/C19H16O4/c20-15-6-1-13(2-7-15)3-10-18-11-17(22)12-19(23-18)14-4-8-16(21)9-5-14/h1-11,19-21H,12H2/b10-3+/t19-/m0/s1
InChIKeyXRFSYDSFAJCJHE-OHSBUDFJSA-N
XLogP3.73
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydropyran-4-one
CID 163195077
(2S,4S,6R)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]oxan-4-ol
CID 162858506
(5S)-5-(4-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]cyclohex-2-en-1-one
CID 139087378
(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 77105169
5-hydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one
CID 163464524
4-[2-(2,4-ditert-butyl-2H-pyran-6-yl)ethenyl]phenol
CID 23965021
7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 42607833
5-(4-hydroxyphenyl)-1,2-oxazolidin-3-one
CID 105437865
(2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one
CID 177391216
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
CID 174718034
[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl] 2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propanoate
CID 139296586
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyran-4-one?
The IUPAC name of (2S)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyran-4-one (CID 125416659) is (2S)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyran-4-one.
What is the SMILES notation for (2S)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyran-4-one?
The canonical SMILES for (2S)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyran-4-one is O=C1C=C(/C=C/c2ccc(O)cc2)O[C@H](c2ccc(O)cc2)C1.
What is the InChIKey of (2S)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyran-4-one?
The InChIKey is XRFSYDSFAJCJHE-OHSBUDFJSA-N. The full InChI is InChI=1S/C19H16O4/c20-15-6-1-13(2-7-15)3-10-18-11-17(22)12-19(23-18)14-4-8-16(21)9-5-14/h1-11,19-21H,12H2/b10-3+/t19-/m0/s1.
What are the key properties of (2S)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyran-4-one?
(2S)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyran-4-one has a molecular weight of 308.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyran-4-one is sourced from PubChem (CID 125416659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).