1-(pyridin-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol

C19H18N2O2 — CID 916087

IUPAC1-(pyridin-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESOc1ccc2oc3c(c2c1/C=N/Cc1ccncc1)CCCC3
InChIInChI=1S/C19H18N2O2/c22-16-5-6-18-19(14-3-1-2-4-17(14)23-18)15(16)12-21-11-13-7-9-20-10-8-13/h5-10,12,22H,1-4,11H2/b21-12+
InChIKeyDVBZTSCFPHABQS-CIAFOILYSA-N
MW306.36 g/mol
LogP4.03
Rot. Bonds3

About 1-(pyridin-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol

1-(pyridin-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol (PubChem CID 916087) has the molecular formula C19H18N2O2 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol
PubChem CID916087
Molecular FormulaC19H18N2O2
Molecular Weight306.36 g/mol
Exact Mass306.14
IUPAC Name1-(pyridin-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESOc1ccc2oc3c(c2c1/C=N/Cc1ccncc1)CCCC3
InChIInChI=1S/C19H18N2O2/c22-16-5-6-18-19(14-3-1-2-4-17(14)23-18)15(16)12-21-11-13-7-9-20-10-8-13/h5-10,12,22H,1-4,11H2/b21-12+
InChIKeyDVBZTSCFPHABQS-CIAFOILYSA-N
XLogP4.03
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The IUPAC name of 1-(pyridin-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol (CID 916087) is 1-(pyridin-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol.
What is the SMILES notation for 1-(pyridin-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The canonical SMILES for 1-(pyridin-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol is Oc1ccc2oc3c(c2c1/C=N/Cc1ccncc1)CCCC3.
What is the InChIKey of 1-(pyridin-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The InChIKey is DVBZTSCFPHABQS-CIAFOILYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-16-5-6-18-19(14-3-1-2-4-17(14)23-18)15(16)12-21-11-13-7-9-20-10-8-13/h5-10,12,22H,1-4,11H2/b21-12+.
What are the key properties of 1-(pyridin-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol?
1-(pyridin-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol has a molecular weight of 306.36 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol is sourced from PubChem (CID 916087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).