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

C23H21NO4 — CID 135693450

IUPAC4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/c2cccc(/C=C/c3ccc(O)c(OC)c3)n2)ccc1O
InChIInChI=1S/C23H21NO4/c1-27-22-14-16(8-12-20(22)25)6-10-18-4-3-5-19(24-18)11-7-17-9-13-21(26)23(15-17)28-2/h3-15,25-26H,1-2H3/b10-6+,11-7+
InChIKeyUHIUYPXOUFFNNS-JMQWPVDRSA-N
MW375.42 g/mol
LogP4.85
Rot. Bonds6

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

4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol (PubChem CID 135693450) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol
PubChem CID135693450
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/c2cccc(/C=C/c3ccc(O)c(OC)c3)n2)ccc1O
InChIInChI=1S/C23H21NO4/c1-27-22-14-16(8-12-20(22)25)6-10-18-4-3-5-19(24-18)11-7-17-9-13-21(26)23(15-17)28-2/h3-15,25-26H,1-2H3/b10-6+,11-7+
InChIKeyUHIUYPXOUFFNNS-JMQWPVDRSA-N
XLogP4.85
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol with MolForge

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Related Compounds

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CID 70882
Cnb-001
CID 135440402
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Galipine
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2-Methoxy-5-[1-(2-methylquinolin-4-yl)ethenyl]phenol
CID 137660123
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(E)-2-methoxy-6-(2-(pyridin-2-yl)vinyl)phenol
CID 135650435
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CID 1119276
2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylquinolin-1-ium iodide
CID 24188418
2-[2-(3,4-Dimethoxy-phenyl)-vinyl]-1-ethyl-quinolinium
CID 24746870
2-Amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)nicotinonitrile
CID 856297

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol (CID 135693450) is 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol is COc1cc(/C=C/c2cccc(/C=C/c3ccc(O)c(OC)c3)n2)ccc1O.
What is the InChIKey of 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol?
The InChIKey is UHIUYPXOUFFNNS-JMQWPVDRSA-N. The full InChI is InChI=1S/C23H21NO4/c1-27-22-14-16(8-12-20(22)25)6-10-18-4-3-5-19(24-18)11-7-17-9-13-21(26)23(15-17)28-2/h3-15,25-26H,1-2H3/b10-6+,11-7+.
What are the key properties of 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol?
4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol has a molecular weight of 375.42 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol is sourced from PubChem (CID 135693450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).