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

C25H26N2O4 — CID 135693472

IUPAC4-[(E)-2-[4-(dimethylamino)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/c2cc(N(C)C)cc(/C=C/c3ccc(O)c(OC)c3)n2)ccc1O
InChIInChI=1S/C25H26N2O4/c1-27(2)21-15-19(9-5-17-7-11-22(28)24(13-17)30-3)26-20(16-21)10-6-18-8-12-23(29)25(14-18)31-4/h5-16,28-29H,1-4H3/b9-5+,10-6+
InChIKeyVRUSEVBHUMRXRT-NXZHAISVSA-N
MW418.49 g/mol
LogP4.92
Rot. Bonds7

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

4-[(E)-2-[4-(dimethylamino)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol (PubChem CID 135693472) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 4-[(E)-2-[4-(dimethylamino)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-2-[4-(dimethylamino)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol
PubChem CID135693472
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name4-[(E)-2-[4-(dimethylamino)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/c2cc(N(C)C)cc(/C=C/c3ccc(O)c(OC)c3)n2)ccc1O
InChIInChI=1S/C25H26N2O4/c1-27(2)21-15-19(9-5-17-7-11-22(28)24(13-17)30-3)26-20(16-21)10-6-18-8-12-23(29)25(14-18)31-4/h5-16,28-29H,1-4H3/b9-5+,10-6+
InChIKeyVRUSEVBHUMRXRT-NXZHAISVSA-N
XLogP4.92
TPSA75.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

Cnb-001
CID 135440402
2-Methoxy-5-[1-(2-methylquinolin-4-yl)ethenyl]phenol
CID 137660123
(E)-2-methoxy-6-(2-(pyridin-2-yl)vinyl)phenol
CID 135650435
2-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylquinolin-1-ium iodide
CID 24188418
5-[6-(2,4-Dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol
CID 90670590
4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol
CID 135693450
2-methoxy-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol
CID 136016516
4-[6-(3,4-Dimethoxyphenyl)-2-pyridinyl]phenol
CID 136502281
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-(4-methylphenyl)pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 136505155
4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 136505182
2-Methoxy-4-[6-(4-methoxyphenyl) pyrazin-2-yl]phenol
CID 137120099
5-[1-(2,6-Dimethoxy-4-pyridinyl)ethenyl]-2-methoxyphenol
CID 162672056

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(dimethylamino)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-2-[4-(dimethylamino)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol (CID 135693472) is 4-[(E)-2-[4-(dimethylamino)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-2-[4-(dimethylamino)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-2-[4-(dimethylamino)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol is COc1cc(/C=C/c2cc(N(C)C)cc(/C=C/c3ccc(O)c(OC)c3)n2)ccc1O.
What is the InChIKey of 4-[(E)-2-[4-(dimethylamino)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol?
The InChIKey is VRUSEVBHUMRXRT-NXZHAISVSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-27(2)21-15-19(9-5-17-7-11-22(28)24(13-17)30-3)26-20(16-21)10-6-18-8-12-23(29)25(14-18)31-4/h5-16,28-29H,1-4H3/b9-5+,10-6+.
What are the key properties of 4-[(E)-2-[4-(dimethylamino)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol?
4-[(E)-2-[4-(dimethylamino)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol has a molecular weight of 418.49 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(dimethylamino)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol is sourced from PubChem (CID 135693472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).