3-methoxy-5-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-2-(3-methylbut-2-enyl)phenol

C20H23NO3 — CID 121371140

IUPAC3-methoxy-5-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-2-(3-methylbut-2-enyl)phenol
SMILESCOc1cccnc1/C=C/c1cc(O)c(CC=C(C)C)c(OC)c1
InChIInChI=1S/C20H23NO3/c1-14(2)7-9-16-18(22)12-15(13-20(16)24-4)8-10-17-19(23-3)6-5-11-21-17/h5-8,10-13,22H,9H2,1-4H3/b10-8+
InChIKeyZRKLTZBGGUPLQU-CSKARUKUSA-N
MW325.41 g/mol
LogP4.48
Rot. Bonds6

About 3-methoxy-5-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-2-(3-methylbut-2-enyl)phenol

3-methoxy-5-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-2-(3-methylbut-2-enyl)phenol (PubChem CID 121371140) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-methoxy-5-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-2-(3-methylbut-2-enyl)phenol.

Molecular Properties

Compound Name3-methoxy-5-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-2-(3-methylbut-2-enyl)phenol
PubChem CID121371140
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3-methoxy-5-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-2-(3-methylbut-2-enyl)phenol
SMILESCOc1cccnc1/C=C/c1cc(O)c(CC=C(C)C)c(OC)c1
InChIInChI=1S/C20H23NO3/c1-14(2)7-9-16-18(22)12-15(13-20(16)24-4)8-10-17-19(23-3)6-5-11-21-17/h5-8,10-13,22H,9H2,1-4H3/b10-8+
InChIKeyZRKLTZBGGUPLQU-CSKARUKUSA-N
XLogP4.48
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-2-(4,6-dimethoxy-3-pyridinyl)ethenyl]-3-methoxy-2-(3-methylbut-2-enyl)phenol
CID 86342922
4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol
CID 78200712
[3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenyl] pyridine-2-carboxylate
CID 140661571
1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene
CID 54284542
5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
CID 5281724
5-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol
CID 132603681
3-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-(3-methylbut-2-enoxy)-4-(3-methylbut-2-enyl)phenol
CID 78078052
3-[(E)-2-(4-amino-3-methoxyphenyl)ethenyl]-5-methoxy-4-(3-methylbut-2-enyl)phenol
CID 156540053
[6-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-2-(2-phenylethenyl)phenyl] hydrogen carbonate
CID 87960845
5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol
CID 91064206
1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene
CID 57413642
5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-(3-methylbut-2-enyl)benzene-1,3-diol;4-[(E)-2-[5-hydroxy-3-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,2-diol;5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-(3-methylbut-2-enyl)benzene-1,3-diol;4-[(E)-2-[5-hydroxy-3-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,2-diol
CID 160712889

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-2-(3-methylbut-2-enyl)phenol?
The IUPAC name of 3-methoxy-5-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-2-(3-methylbut-2-enyl)phenol (CID 121371140) is 3-methoxy-5-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-2-(3-methylbut-2-enyl)phenol.
What is the SMILES notation for 3-methoxy-5-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-2-(3-methylbut-2-enyl)phenol?
The canonical SMILES for 3-methoxy-5-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-2-(3-methylbut-2-enyl)phenol is COc1cccnc1/C=C/c1cc(O)c(CC=C(C)C)c(OC)c1.
What is the InChIKey of 3-methoxy-5-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-2-(3-methylbut-2-enyl)phenol?
The InChIKey is ZRKLTZBGGUPLQU-CSKARUKUSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14(2)7-9-16-18(22)12-15(13-20(16)24-4)8-10-17-19(23-3)6-5-11-21-17/h5-8,10-13,22H,9H2,1-4H3/b10-8+.
What are the key properties of 3-methoxy-5-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-2-(3-methylbut-2-enyl)phenol?
3-methoxy-5-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-2-(3-methylbut-2-enyl)phenol has a molecular weight of 325.41 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-2-(3-methylbut-2-enyl)phenol is sourced from PubChem (CID 121371140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).