2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde

C12H15NO3 — CID 169474143

IUPAC2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde
SMILESCNCC=Cc1cc(C=O)c(O)c(OC)c1
InChIInChI=1S/C12H15NO3/c1-13-5-3-4-9-6-10(8-14)12(15)11(7-9)16-2/h3-4,6-8,13,15H,5H2,1-2H3
InChIKeyFGNJHHSXFWTCAR-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.45
Rot. Bonds5

About 2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde

2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde (PubChem CID 169474143) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde
PubChem CID169474143
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde
SMILESCNCC=Cc1cc(C=O)c(O)c(OC)c1
InChIInChI=1S/C12H15NO3/c1-13-5-3-4-9-6-10(8-14)12(15)11(7-9)16-2/h3-4,6-8,13,15H,5H2,1-2H3
InChIKeyFGNJHHSXFWTCAR-UHFFFAOYSA-N
XLogP1.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde
CID 169476016
5-[2-(4-chlorophenyl)ethenyl]-2-hydroxy-3-methoxybenzaldehyde
CID 155677733
5-[(E)-2-(4-chlorophenyl)ethenyl]-2-hydroxy-3-methoxybenzaldehyde
CID 139536308
4-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzonitrile
CID 169474216
2-hydroxy-3-methoxy-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 139552593
5-[2-(3-formyl-4-hydroxy-5-methoxyphenyl)ethyl]-2-hydroxy-3-methoxybenzaldehyde
CID 87078799
2-hydroxy-3,5-dimethoxybenzaldehyde
CID 7172046
2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde
CID 89289969
2-hydroxy-3-methoxy-5-[2-(4-pyrrolidin-1-ylphenyl)ethenyl]benzaldehyde
CID 175083066
5-amino-2-hydroxy-3-methoxybenzaldehyde
CID 155701195
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol
CID 13436193

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde?
The IUPAC name of 2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde (CID 169474143) is 2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde?
The canonical SMILES for 2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde is CNCC=Cc1cc(C=O)c(O)c(OC)c1.
What is the InChIKey of 2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde?
The InChIKey is FGNJHHSXFWTCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-13-5-3-4-9-6-10(8-14)12(15)11(7-9)16-2/h3-4,6-8,13,15H,5H2,1-2H3.
What are the key properties of 2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde?
2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde has a molecular weight of 221.26 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde is sourced from PubChem (CID 169474143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).