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

C23H19NO2 — CID 919141

IUPAC1-(naphthalen-1-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESOc1ccc2oc3c(c2c1/C=N/c1cccc2ccccc12)CCCC3
InChIInChI=1S/C23H19NO2/c25-20-12-13-22-23(17-9-3-4-11-21(17)26-22)18(20)14-24-19-10-5-7-15-6-1-2-8-16(15)19/h1-2,5-8,10,12-14,25H,3-4,9,11H2/b24-14+
InChIKeyOLNFCTSMACTZMP-ZVHZXABRSA-N
MW341.41 g/mol
LogP5.92
Rot. Bonds2

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

1-(naphthalen-1-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol (PubChem CID 919141) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(naphthalen-1-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol.

Molecular Properties

Compound Name1-(naphthalen-1-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol
PubChem CID919141
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name1-(naphthalen-1-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESOc1ccc2oc3c(c2c1/C=N/c1cccc2ccccc12)CCCC3
InChIInChI=1S/C23H19NO2/c25-20-12-13-22-23(17-9-3-4-11-21(17)26-22)18(20)14-24-19-10-5-7-15-6-1-2-8-16(15)19/h1-2,5-8,10,12-14,25H,3-4,9,11H2/b24-14+
InChIKeyOLNFCTSMACTZMP-ZVHZXABRSA-N
XLogP5.92
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.92
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-(naphthalen-1-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The IUPAC name of 1-(naphthalen-1-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol (CID 919141) is 1-(naphthalen-1-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol.
What is the SMILES notation for 1-(naphthalen-1-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The canonical SMILES for 1-(naphthalen-1-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol is Oc1ccc2oc3c(c2c1/C=N/c1cccc2ccccc12)CCCC3.
What is the InChIKey of 1-(naphthalen-1-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The InChIKey is OLNFCTSMACTZMP-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H19NO2/c25-20-12-13-22-23(17-9-3-4-11-21(17)26-22)18(20)14-24-19-10-5-7-15-6-1-2-8-16(15)19/h1-2,5-8,10,12-14,25H,3-4,9,11H2/b24-14+.
What are the key properties of 1-(naphthalen-1-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol?
1-(naphthalen-1-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol has a molecular weight of 341.41 g/mol, XLogP of 5.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol is sourced from PubChem (CID 919141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).