2,3-dimethoxy-6-[(E)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethenyl]pyridine

C21H23NO4 — CID 127035371

IUPAC2,3-dimethoxy-6-[(E)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethenyl]pyridine
SMILESCOc1ccc(/C=C/c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC
InChIInChI=1S/C21H23NO4/c1-21(2)13-12-16-17(26-21)10-7-14(19(16)24-4)6-8-15-9-11-18(23-3)20(22-15)25-5/h6-13H,1-5H3/b8-6+
InChIKeyMHJZDROHUKOFAW-SOFGYWHQSA-N
MW353.42 g/mol
LogP4.46
Rot. Bonds5

About 2,3-dimethoxy-6-[(E)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethenyl]pyridine

2,3-dimethoxy-6-[(E)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethenyl]pyridine (PubChem CID 127035371) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2,3-dimethoxy-6-[(E)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethenyl]pyridine.

Molecular Properties

Compound Name2,3-dimethoxy-6-[(E)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethenyl]pyridine
PubChem CID127035371
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2,3-dimethoxy-6-[(E)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethenyl]pyridine
SMILESCOc1ccc(/C=C/c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC
InChIInChI=1S/C21H23NO4/c1-21(2)13-12-16-17(26-21)10-7-14(19(16)24-4)6-8-15-9-11-18(23-3)20(22-15)25-5/h6-13H,1-5H3/b8-6+
InChIKeyMHJZDROHUKOFAW-SOFGYWHQSA-N
XLogP4.46
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-6-[(E)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethenyl]pyridine?
The IUPAC name of 2,3-dimethoxy-6-[(E)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethenyl]pyridine (CID 127035371) is 2,3-dimethoxy-6-[(E)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethenyl]pyridine.
What is the SMILES notation for 2,3-dimethoxy-6-[(E)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethenyl]pyridine?
The canonical SMILES for 2,3-dimethoxy-6-[(E)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethenyl]pyridine is COc1ccc(/C=C/c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC.
What is the InChIKey of 2,3-dimethoxy-6-[(E)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethenyl]pyridine?
The InChIKey is MHJZDROHUKOFAW-SOFGYWHQSA-N. The full InChI is InChI=1S/C21H23NO4/c1-21(2)13-12-16-17(26-21)10-7-14(19(16)24-4)6-8-15-9-11-18(23-3)20(22-15)25-5/h6-13H,1-5H3/b8-6+.
What are the key properties of 2,3-dimethoxy-6-[(E)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethenyl]pyridine?
2,3-dimethoxy-6-[(E)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethenyl]pyridine has a molecular weight of 353.42 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-6-[(E)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethenyl]pyridine is sourced from PubChem (CID 127035371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).