3-[[4-[(3Z)-4-methoxyhexa-1,3-dien-2-yl]phenyl]methoxy]pyridine

C19H21NO2 — CID 143746919

IUPAC3-[[4-[(3Z)-4-methoxyhexa-1,3-dien-2-yl]phenyl]methoxy]pyridine
SMILESC=C(/C=C(/CC)OC)c1ccc(COc2cccnc2)cc1
InChIInChI=1S/C19H21NO2/c1-4-18(21-3)12-15(2)17-9-7-16(8-10-17)14-22-19-6-5-11-20-13-19/h5-13H,2,4,14H2,1,3H3/b18-12-
InChIKeyRGYKBANOFFMARQ-PDGQHHTCSA-N
MW295.38 g/mol
LogP4.61
Rot. Bonds7

About 3-[[4-[(3Z)-4-methoxyhexa-1,3-dien-2-yl]phenyl]methoxy]pyridine

3-[[4-[(3Z)-4-methoxyhexa-1,3-dien-2-yl]phenyl]methoxy]pyridine (PubChem CID 143746919) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[[4-[(3Z)-4-methoxyhexa-1,3-dien-2-yl]phenyl]methoxy]pyridine.

Molecular Properties

Compound Name3-[[4-[(3Z)-4-methoxyhexa-1,3-dien-2-yl]phenyl]methoxy]pyridine
PubChem CID143746919
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name3-[[4-[(3Z)-4-methoxyhexa-1,3-dien-2-yl]phenyl]methoxy]pyridine
SMILESC=C(/C=C(/CC)OC)c1ccc(COc2cccnc2)cc1
InChIInChI=1S/C19H21NO2/c1-4-18(21-3)12-15(2)17-9-7-16(8-10-17)14-22-19-6-5-11-20-13-19/h5-13H,2,4,14H2,1,3H3/b18-12-
InChIKeyRGYKBANOFFMARQ-PDGQHHTCSA-N
XLogP4.61
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methylphenyl)methoxy]pyridine
CID 58445986
2-methyl-4-(pyridin-3-yloxymethyl)aniline
CID 117220552
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CID 39952477
2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile
CID 106794520
(4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate
CID 60588638
N-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79775715
3-[(3E)-4-(trifluoromethyl)hexa-1,3-dien-2-yl]pyridine
CID 143483764
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
3-(2-chloroprop-2-enoxy)pyridine
CID 112558627
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955
3-(furan-3-ylmethoxy)pyridine
CID 112558860
N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558300

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3Z)-4-methoxyhexa-1,3-dien-2-yl]phenyl]methoxy]pyridine?
The IUPAC name of 3-[[4-[(3Z)-4-methoxyhexa-1,3-dien-2-yl]phenyl]methoxy]pyridine (CID 143746919) is 3-[[4-[(3Z)-4-methoxyhexa-1,3-dien-2-yl]phenyl]methoxy]pyridine.
What is the SMILES notation for 3-[[4-[(3Z)-4-methoxyhexa-1,3-dien-2-yl]phenyl]methoxy]pyridine?
The canonical SMILES for 3-[[4-[(3Z)-4-methoxyhexa-1,3-dien-2-yl]phenyl]methoxy]pyridine is C=C(/C=C(/CC)OC)c1ccc(COc2cccnc2)cc1.
What is the InChIKey of 3-[[4-[(3Z)-4-methoxyhexa-1,3-dien-2-yl]phenyl]methoxy]pyridine?
The InChIKey is RGYKBANOFFMARQ-PDGQHHTCSA-N. The full InChI is InChI=1S/C19H21NO2/c1-4-18(21-3)12-15(2)17-9-7-16(8-10-17)14-22-19-6-5-11-20-13-19/h5-13H,2,4,14H2,1,3H3/b18-12-.
What are the key properties of 3-[[4-[(3Z)-4-methoxyhexa-1,3-dien-2-yl]phenyl]methoxy]pyridine?
3-[[4-[(3Z)-4-methoxyhexa-1,3-dien-2-yl]phenyl]methoxy]pyridine has a molecular weight of 295.38 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3Z)-4-methoxyhexa-1,3-dien-2-yl]phenyl]methoxy]pyridine is sourced from PubChem (CID 143746919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).