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

C24H23NO4 — CID 135693471

IUPAC4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methyl-2-pyridinyl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/c2cc(C)cc(/C=C/c3ccc(O)c(OC)c3)n2)ccc1O
InChIInChI=1S/C24H23NO4/c1-16-12-19(8-4-17-6-10-21(26)23(14-17)28-2)25-20(13-16)9-5-18-7-11-22(27)24(15-18)29-3/h4-15,26-27H,1-3H3/b8-4+,9-5+
InChIKeyBYBHXDXNIQAKMR-KBXRYBNXSA-N
MW389.45 g/mol
LogP5.16
Rot. Bonds6

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

4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methyl-2-pyridinyl]ethenyl]-2-methoxyphenol (PubChem CID 135693471) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methyl-2-pyridinyl]ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methyl-2-pyridinyl]ethenyl]-2-methoxyphenol
PubChem CID135693471
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methyl-2-pyridinyl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/c2cc(C)cc(/C=C/c3ccc(O)c(OC)c3)n2)ccc1O
InChIInChI=1S/C24H23NO4/c1-16-12-19(8-4-17-6-10-21(26)23(14-17)28-2)25-20(13-16)9-5-18-7-11-22(27)24(15-18)29-3/h4-15,26-27H,1-3H3/b8-4+,9-5+
InChIKeyBYBHXDXNIQAKMR-KBXRYBNXSA-N
XLogP5.16
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

Moxaverine
CID 70882
Cnb-001
CID 135440402
Palaudine
CID 167736
2-(3,4-Dimethoxystyryl)quinoline
CID 5933012
Galipine
CID 68235
2-Methoxy-5-[1-(2-methylquinolin-4-yl)ethenyl]phenol
CID 137660123
Quinolinium, 2-(3,4-dimethoxystyryl)-1-methyl-
CID 5923856
(E)-2-methoxy-6-(2-(pyridin-2-yl)vinyl)phenol
CID 135650435
3-(3,4-Dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline
CID 1119276
4,4'-(2,3-Quinoxalinediyl)bis(2-methoxyphenol)
CID 1361650
6,7-Dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline
CID 3717793
5-Ethyl-2-[(6-fluoropyridin-2-yl)oxy]phenol
CID 16752719

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methyl-2-pyridinyl]ethenyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methyl-2-pyridinyl]ethenyl]-2-methoxyphenol (CID 135693471) is 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methyl-2-pyridinyl]ethenyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methyl-2-pyridinyl]ethenyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methyl-2-pyridinyl]ethenyl]-2-methoxyphenol is COc1cc(/C=C/c2cc(C)cc(/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]-4-methyl-2-pyridinyl]ethenyl]-2-methoxyphenol?
The InChIKey is BYBHXDXNIQAKMR-KBXRYBNXSA-N. The full InChI is InChI=1S/C24H23NO4/c1-16-12-19(8-4-17-6-10-21(26)23(14-17)28-2)25-20(13-16)9-5-18-7-11-22(27)24(15-18)29-3/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-methyl-2-pyridinyl]ethenyl]-2-methoxyphenol?
4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methyl-2-pyridinyl]ethenyl]-2-methoxyphenol has a molecular weight of 389.45 g/mol, XLogP of 5.16, 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]-4-methyl-2-pyridinyl]ethenyl]-2-methoxyphenol is sourced from PubChem (CID 135693471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).