4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxy-2-pyridinyl]ethenyl]-2-methoxyphenol

C24H23NO5 — CID 135693470

IUPAC4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxy-2-pyridinyl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/c2ccc(O)c(OC)c2)nc(/C=C/c2ccc(O)c(OC)c2)c1
InChIInChI=1S/C24H23NO5/c1-28-20-14-18(8-4-16-6-10-21(26)23(12-16)29-2)25-19(15-20)9-5-17-7-11-22(27)24(13-17)30-3/h4-15,26-27H,1-3H3/b8-4+,9-5+
InChIKeyKWAMKCMHCVLFEH-KBXRYBNXSA-N
MW405.45 g/mol
LogP4.86
Rot. Bonds7

About 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxy-2-pyridinyl]ethenyl]-2-methoxyphenol

4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxy-2-pyridinyl]ethenyl]-2-methoxyphenol (PubChem CID 135693470) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxy-2-pyridinyl]ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxy-2-pyridinyl]ethenyl]-2-methoxyphenol
PubChem CID135693470
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxy-2-pyridinyl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/c2ccc(O)c(OC)c2)nc(/C=C/c2ccc(O)c(OC)c2)c1
InChIInChI=1S/C24H23NO5/c1-28-20-14-18(8-4-16-6-10-21(26)23(12-16)29-2)25-19(15-20)9-5-17-7-11-22(27)24(13-17)30-3/h4-15,26-27H,1-3H3/b8-4+,9-5+
InChIKeyKWAMKCMHCVLFEH-KBXRYBNXSA-N
XLogP4.86
TPSA81.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxy-2-pyridinyl]ethenyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxy-2-pyridinyl]ethenyl]-2-methoxyphenol (CID 135693470) is 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxy-2-pyridinyl]ethenyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxy-2-pyridinyl]ethenyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxy-2-pyridinyl]ethenyl]-2-methoxyphenol is COc1cc(/C=C/c2ccc(O)c(OC)c2)nc(/C=C/c2ccc(O)c(OC)c2)c1.
What is the InChIKey of 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxy-2-pyridinyl]ethenyl]-2-methoxyphenol?
The InChIKey is KWAMKCMHCVLFEH-KBXRYBNXSA-N. The full InChI is InChI=1S/C24H23NO5/c1-28-20-14-18(8-4-16-6-10-21(26)23(12-16)29-2)25-19(15-20)9-5-17-7-11-22(27)24(13-17)30-3/h4-15,26-27H,1-3H3/b8-4+,9-5+.
What are the key properties of 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxy-2-pyridinyl]ethenyl]-2-methoxyphenol?
4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxy-2-pyridinyl]ethenyl]-2-methoxyphenol has a molecular weight of 405.45 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxy-2-pyridinyl]ethenyl]-2-methoxyphenol is sourced from PubChem (CID 135693470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).