(2R)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydropyran-4-one

C20H18O5 — CID 163195077

IUPAC(2R)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydropyran-4-one
SMILESCOc1cc(/C=C/C2=CC(=O)C[C@H](c3ccc(O)cc3)O2)ccc1O
InChIInChI=1S/C20H18O5/c1-24-20-10-13(3-9-18(20)23)2-8-17-11-16(22)12-19(25-17)14-4-6-15(21)7-5-14/h2-11,19,21,23H,12H2,1H3/b8-2+/t19-/m1/s1
InChIKeyHMMNPCLPAZHEKJ-XNCADYQUSA-N
MW338.36 g/mol
LogP3.73
Rot. Bonds4

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

(2R)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydropyran-4-one (PubChem CID 163195077) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is (2R)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydropyran-4-one
PubChem CID163195077
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name(2R)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydropyran-4-one
SMILESCOc1cc(/C=C/C2=CC(=O)C[C@H](c3ccc(O)cc3)O2)ccc1O
InChIInChI=1S/C20H18O5/c1-24-20-10-13(3-9-18(20)23)2-8-17-11-16(22)12-19(25-17)14-4-6-15(21)7-5-14/h2-11,19,21,23H,12H2,1H3/b8-2+/t19-/m1/s1
InChIKeyHMMNPCLPAZHEKJ-XNCADYQUSA-N
XLogP3.73
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2S)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyran-4-one
CID 125416659
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
4-[2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodioxin-3-yl]-2-methoxyphenol
CID 135057347
7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one
CID 75954573
4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]cyclohex-2-en-1-one
CID 90776819
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
5-hydroxy-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]cyclohexane-1,3-dione
CID 91078430
(2R)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 40577064
3,4-dihydroxy-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-2-one
CID 155758617
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 172694499
potassium 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 46841773
(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-4-methylhepta-1,4,6-trien-3-one
CID 15941759

Frequently Asked Questions

What is the IUPAC name of (2R)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydropyran-4-one?
The IUPAC name of (2R)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydropyran-4-one (CID 163195077) is (2R)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydropyran-4-one?
The canonical SMILES for (2R)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydropyran-4-one is COc1cc(/C=C/C2=CC(=O)C[C@H](c3ccc(O)cc3)O2)ccc1O.
What is the InChIKey of (2R)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydropyran-4-one?
The InChIKey is HMMNPCLPAZHEKJ-XNCADYQUSA-N. The full InChI is InChI=1S/C20H18O5/c1-24-20-10-13(3-9-18(20)23)2-8-17-11-16(22)12-19(25-17)14-4-6-15(21)7-5-14/h2-11,19,21,23H,12H2,1H3/b8-2+/t19-/m1/s1.
What are the key properties of (2R)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydropyran-4-one?
(2R)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydropyran-4-one has a molecular weight of 338.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 163195077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).