1-[2,4-dimethoxy-6-[(E)-prop-1-enyl]phenyl]-N-methoxyethanimine

C14H19NO3 — CID 138963202

IUPAC1-[2,4-dimethoxy-6-[(E)-prop-1-enyl]phenyl]-N-methoxyethanimine
SMILESC/C=C/c1cc(OC)cc(OC)c1C(C)=NOC
InChIInChI=1S/C14H19NO3/c1-6-7-11-8-12(16-3)9-13(17-4)14(11)10(2)15-18-5/h6-9H,1-5H3/b7-6+,15-10?
InChIKeyFKEQUQVBMRLFKN-URELFJQESA-N
MW249.31 g/mol
LogP3.11
Rot. Bonds5

About 1-[2,4-dimethoxy-6-[(E)-prop-1-enyl]phenyl]-N-methoxyethanimine

1-[2,4-dimethoxy-6-[(E)-prop-1-enyl]phenyl]-N-methoxyethanimine (PubChem CID 138963202) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2,4-dimethoxy-6-[(E)-prop-1-enyl]phenyl]-N-methoxyethanimine.

Molecular Properties

Compound Name1-[2,4-dimethoxy-6-[(E)-prop-1-enyl]phenyl]-N-methoxyethanimine
PubChem CID138963202
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[2,4-dimethoxy-6-[(E)-prop-1-enyl]phenyl]-N-methoxyethanimine
SMILESC/C=C/c1cc(OC)cc(OC)c1C(C)=NOC
InChIInChI=1S/C14H19NO3/c1-6-7-11-8-12(16-3)9-13(17-4)14(11)10(2)15-18-5/h6-9H,1-5H3/b7-6+,15-10?
InChIKeyFKEQUQVBMRLFKN-URELFJQESA-N
XLogP3.11
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethoxy-6-[(E)-prop-1-enyl]phenyl]-N-methoxyethanimine?
The IUPAC name of 1-[2,4-dimethoxy-6-[(E)-prop-1-enyl]phenyl]-N-methoxyethanimine (CID 138963202) is 1-[2,4-dimethoxy-6-[(E)-prop-1-enyl]phenyl]-N-methoxyethanimine.
What is the SMILES notation for 1-[2,4-dimethoxy-6-[(E)-prop-1-enyl]phenyl]-N-methoxyethanimine?
The canonical SMILES for 1-[2,4-dimethoxy-6-[(E)-prop-1-enyl]phenyl]-N-methoxyethanimine is C/C=C/c1cc(OC)cc(OC)c1C(C)=NOC.
What is the InChIKey of 1-[2,4-dimethoxy-6-[(E)-prop-1-enyl]phenyl]-N-methoxyethanimine?
The InChIKey is FKEQUQVBMRLFKN-URELFJQESA-N. The full InChI is InChI=1S/C14H19NO3/c1-6-7-11-8-12(16-3)9-13(17-4)14(11)10(2)15-18-5/h6-9H,1-5H3/b7-6+,15-10?.
What are the key properties of 1-[2,4-dimethoxy-6-[(E)-prop-1-enyl]phenyl]-N-methoxyethanimine?
1-[2,4-dimethoxy-6-[(E)-prop-1-enyl]phenyl]-N-methoxyethanimine has a molecular weight of 249.31 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethoxy-6-[(E)-prop-1-enyl]phenyl]-N-methoxyethanimine is sourced from PubChem (CID 138963202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).