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

C19H16BrNO3 — CID 1365027

IUPAC3-bromo-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESOc1ccccc1/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3
InChIInChI=1S/C19H16BrNO3/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+
InChIKeySQTLEAKPDIJBLY-UFFVCSGVSA-N
MW386.25 g/mol
LogP5.24
Rot. Bonds2

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

3-bromo-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol (PubChem CID 1365027) has the molecular formula C19H16BrNO3 and a molecular weight of 386.25 g/mol. Its IUPAC name is 3-bromo-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol.

Molecular Properties

Compound Name3-bromo-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
PubChem CID1365027
Molecular FormulaC19H16BrNO3
Molecular Weight386.25 g/mol
Exact Mass385.03
IUPAC Name3-bromo-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESOc1ccccc1/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3
InChIInChI=1S/C19H16BrNO3/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+
InChIKeySQTLEAKPDIJBLY-UFFVCSGVSA-N
XLogP5.24
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.25
LogP ≤ 55.24
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'}

Analyze 3-bromo-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The IUPAC name of 3-bromo-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol (CID 1365027) is 3-bromo-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol.
What is the SMILES notation for 3-bromo-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The canonical SMILES for 3-bromo-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol is Oc1ccccc1/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3.
What is the InChIKey of 3-bromo-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The InChIKey is SQTLEAKPDIJBLY-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H16BrNO3/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 3-bromo-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
3-bromo-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol has a molecular weight of 386.25 g/mol, XLogP of 5.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol is sourced from PubChem (CID 1365027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).