3-(4-chlorophenyl)-2,6-dimethoxy-5-[(E)-2-methoxy-1-phenylethenyl]pyridine

C22H20ClNO3 — CID 118672005

IUPAC3-(4-chlorophenyl)-2,6-dimethoxy-5-[(E)-2-methoxy-1-phenylethenyl]pyridine
SMILESCO/C=C(\c1ccccc1)c1cc(-c2ccc(Cl)cc2)c(OC)nc1OC
InChIInChI=1S/C22H20ClNO3/c1-25-14-20(15-7-5-4-6-8-15)19-13-18(16-9-11-17(23)12-10-16)21(26-2)24-22(19)27-3/h4-14H,1-3H3/b20-14+
InChIKeyVVUPOFODTCNLHN-XSFVSMFZSA-N
MW381.86 g/mol
LogP5.45
Rot. Bonds6

About 3-(4-chlorophenyl)-2,6-dimethoxy-5-[(E)-2-methoxy-1-phenylethenyl]pyridine

3-(4-chlorophenyl)-2,6-dimethoxy-5-[(E)-2-methoxy-1-phenylethenyl]pyridine (PubChem CID 118672005) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,6-dimethoxy-5-[(E)-2-methoxy-1-phenylethenyl]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,6-dimethoxy-5-[(E)-2-methoxy-1-phenylethenyl]pyridine
PubChem CID118672005
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC Name3-(4-chlorophenyl)-2,6-dimethoxy-5-[(E)-2-methoxy-1-phenylethenyl]pyridine
SMILESCO/C=C(\c1ccccc1)c1cc(-c2ccc(Cl)cc2)c(OC)nc1OC
InChIInChI=1S/C22H20ClNO3/c1-25-14-20(15-7-5-4-6-8-15)19-13-18(16-9-11-17(23)12-10-16)21(26-2)24-22(19)27-3/h4-14H,1-3H3/b20-14+
InChIKeyVVUPOFODTCNLHN-XSFVSMFZSA-N
XLogP5.45
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,6-dimethoxy-5-[(E)-2-methoxy-1-phenylethenyl]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-2,6-dimethoxy-5-[(E)-2-methoxy-1-phenylethenyl]pyridine (CID 118672005) is 3-(4-chlorophenyl)-2,6-dimethoxy-5-[(E)-2-methoxy-1-phenylethenyl]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-2,6-dimethoxy-5-[(E)-2-methoxy-1-phenylethenyl]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-2,6-dimethoxy-5-[(E)-2-methoxy-1-phenylethenyl]pyridine is CO/C=C(\c1ccccc1)c1cc(-c2ccc(Cl)cc2)c(OC)nc1OC.
What is the InChIKey of 3-(4-chlorophenyl)-2,6-dimethoxy-5-[(E)-2-methoxy-1-phenylethenyl]pyridine?
The InChIKey is VVUPOFODTCNLHN-XSFVSMFZSA-N. The full InChI is InChI=1S/C22H20ClNO3/c1-25-14-20(15-7-5-4-6-8-15)19-13-18(16-9-11-17(23)12-10-16)21(26-2)24-22(19)27-3/h4-14H,1-3H3/b20-14+.
What are the key properties of 3-(4-chlorophenyl)-2,6-dimethoxy-5-[(E)-2-methoxy-1-phenylethenyl]pyridine?
3-(4-chlorophenyl)-2,6-dimethoxy-5-[(E)-2-methoxy-1-phenylethenyl]pyridine has a molecular weight of 381.86 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,6-dimethoxy-5-[(E)-2-methoxy-1-phenylethenyl]pyridine is sourced from PubChem (CID 118672005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).