1-[(2-hydroxyphenyl)iminomethyl]-3-iodo-6,7,8,9-tetrahydrodibenzofuran-2-ol

C19H16INO3 — CID 1368156

IUPAC1-[(2-hydroxyphenyl)iminomethyl]-3-iodo-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESOc1ccccc1/N=C/c1c(O)c(I)cc2oc3c(c12)CCCC3
InChIInChI=1S/C19H16INO3/c20-13-9-17-18(11-5-1-4-8-16(11)24-17)12(19(13)23)10-21-14-6-2-3-7-15(14)22/h2-3,6-7,9-10,22-23H,1,4-5,8H2/b21-10+
InChIKeyJQAMZXLFTSJLDV-UFFVCSGVSA-N
MW433.25 g/mol
LogP5.08
Rot. Bonds2

About 1-[(2-hydroxyphenyl)iminomethyl]-3-iodo-6,7,8,9-tetrahydrodibenzofuran-2-ol

1-[(2-hydroxyphenyl)iminomethyl]-3-iodo-6,7,8,9-tetrahydrodibenzofuran-2-ol (PubChem CID 1368156) has the molecular formula C19H16INO3 and a molecular weight of 433.25 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)iminomethyl]-3-iodo-6,7,8,9-tetrahydrodibenzofuran-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)iminomethyl]-3-iodo-6,7,8,9-tetrahydrodibenzofuran-2-ol
PubChem CID1368156
Molecular FormulaC19H16INO3
Molecular Weight433.25 g/mol
Exact Mass433.02
IUPAC Name1-[(2-hydroxyphenyl)iminomethyl]-3-iodo-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESOc1ccccc1/N=C/c1c(O)c(I)cc2oc3c(c12)CCCC3
InChIInChI=1S/C19H16INO3/c20-13-9-17-18(11-5-1-4-8-16(11)24-17)12(19(13)23)10-21-14-6-2-3-7-15(14)22/h2-3,6-7,9-10,22-23H,1,4-5,8H2/b21-10+
InChIKeyJQAMZXLFTSJLDV-UFFVCSGVSA-N
XLogP5.08
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.25
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)iminomethyl]-3-iodo-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The IUPAC name of 1-[(2-hydroxyphenyl)iminomethyl]-3-iodo-6,7,8,9-tetrahydrodibenzofuran-2-ol (CID 1368156) is 1-[(2-hydroxyphenyl)iminomethyl]-3-iodo-6,7,8,9-tetrahydrodibenzofuran-2-ol.
What is the SMILES notation for 1-[(2-hydroxyphenyl)iminomethyl]-3-iodo-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The canonical SMILES for 1-[(2-hydroxyphenyl)iminomethyl]-3-iodo-6,7,8,9-tetrahydrodibenzofuran-2-ol is Oc1ccccc1/N=C/c1c(O)c(I)cc2oc3c(c12)CCCC3.
What is the InChIKey of 1-[(2-hydroxyphenyl)iminomethyl]-3-iodo-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The InChIKey is JQAMZXLFTSJLDV-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H16INO3/c20-13-9-17-18(11-5-1-4-8-16(11)24-17)12(19(13)23)10-21-14-6-2-3-7-15(14)22/h2-3,6-7,9-10,22-23H,1,4-5,8H2/b21-10+.
What are the key properties of 1-[(2-hydroxyphenyl)iminomethyl]-3-iodo-6,7,8,9-tetrahydrodibenzofuran-2-ol?
1-[(2-hydroxyphenyl)iminomethyl]-3-iodo-6,7,8,9-tetrahydrodibenzofuran-2-ol has a molecular weight of 433.25 g/mol, XLogP of 5.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)iminomethyl]-3-iodo-6,7,8,9-tetrahydrodibenzofuran-2-ol is sourced from PubChem (CID 1368156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).