1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol

C19H17NO2 — CID 919763

IUPAC1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESOc1ccc2oc3c(c2c1/C=N/c1ccccc1)CCCC3
InChIInChI=1S/C19H17NO2/c21-16-10-11-18-19(14-8-4-5-9-17(14)22-18)15(16)12-20-13-6-2-1-3-7-13/h1-3,6-7,10-12,21H,4-5,8-9H2/b20-12+
InChIKeyWJNAZIZJBFBBDD-UDWIEESQSA-N
MW291.35 g/mol
LogP4.77
Rot. Bonds2

About 1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol

1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol (PubChem CID 919763) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol.

Molecular Properties

Compound Name1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol
PubChem CID919763
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESOc1ccc2oc3c(c2c1/C=N/c1ccccc1)CCCC3
InChIInChI=1S/C19H17NO2/c21-16-10-11-18-19(14-8-4-5-9-17(14)22-18)15(16)12-20-13-6-2-1-3-7-13/h1-3,6-7,10-12,21H,4-5,8-9H2/b20-12+
InChIKeyWJNAZIZJBFBBDD-UDWIEESQSA-N
XLogP4.77
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The IUPAC name of 1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol (CID 919763) is 1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol.
What is the SMILES notation for 1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The canonical SMILES for 1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol is Oc1ccc2oc3c(c2c1/C=N/c1ccccc1)CCCC3.
What is the InChIKey of 1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The InChIKey is WJNAZIZJBFBBDD-UDWIEESQSA-N. The full InChI is InChI=1S/C19H17NO2/c21-16-10-11-18-19(14-8-4-5-9-17(14)22-18)15(16)12-20-13-6-2-1-3-7-13/h1-3,6-7,10-12,21H,4-5,8-9H2/b20-12+.
What are the key properties of 1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol?
1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol has a molecular weight of 291.35 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol is sourced from PubChem (CID 919763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).