4-bromo-2-[(2-methoxydibenzofuran-3-yl)iminomethyl]phenol

C20H14BrNO3 — CID 1280943

IUPAC4-bromo-2-[(2-methoxydibenzofuran-3-yl)iminomethyl]phenol
SMILESCOc1cc2c(cc1/N=C/c1cc(Br)ccc1O)oc1ccccc12
InChIInChI=1S/C20H14BrNO3/c1-24-20-9-15-14-4-2-3-5-18(14)25-19(15)10-16(20)22-11-12-8-13(21)6-7-17(12)23/h2-11,23H,1H3/b22-11+
InChIKeyBPWOIDNTXCBGOT-SSDVNMTOSA-N
MW396.24 g/mol
LogP5.81
Rot. Bonds3

About 4-bromo-2-[(2-methoxydibenzofuran-3-yl)iminomethyl]phenol

4-bromo-2-[(2-methoxydibenzofuran-3-yl)iminomethyl]phenol (PubChem CID 1280943) has the molecular formula C20H14BrNO3 and a molecular weight of 396.24 g/mol. Its IUPAC name is 4-bromo-2-[(2-methoxydibenzofuran-3-yl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(2-methoxydibenzofuran-3-yl)iminomethyl]phenol
PubChem CID1280943
Molecular FormulaC20H14BrNO3
Molecular Weight396.24 g/mol
Exact Mass395.02
IUPAC Name4-bromo-2-[(2-methoxydibenzofuran-3-yl)iminomethyl]phenol
SMILESCOc1cc2c(cc1/N=C/c1cc(Br)ccc1O)oc1ccccc12
InChIInChI=1S/C20H14BrNO3/c1-24-20-9-15-14-4-2-3-5-18(14)25-19(15)10-16(20)22-11-12-8-13(21)6-7-17(12)23/h2-11,23H,1H3/b22-11+
InChIKeyBPWOIDNTXCBGOT-SSDVNMTOSA-N
XLogP5.81
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.24
LogP ≤ 55.81
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 4-bromo-2-[(2-methoxydibenzofuran-3-yl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(2-methoxydibenzofuran-3-yl)iminomethyl]phenol (CID 1280943) is 4-bromo-2-[(2-methoxydibenzofuran-3-yl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(2-methoxydibenzofuran-3-yl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(2-methoxydibenzofuran-3-yl)iminomethyl]phenol is COc1cc2c(cc1/N=C/c1cc(Br)ccc1O)oc1ccccc12.
What is the InChIKey of 4-bromo-2-[(2-methoxydibenzofuran-3-yl)iminomethyl]phenol?
The InChIKey is BPWOIDNTXCBGOT-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H14BrNO3/c1-24-20-9-15-14-4-2-3-5-18(14)25-19(15)10-16(20)22-11-12-8-13(21)6-7-17(12)23/h2-11,23H,1H3/b22-11+.
What are the key properties of 4-bromo-2-[(2-methoxydibenzofuran-3-yl)iminomethyl]phenol?
4-bromo-2-[(2-methoxydibenzofuran-3-yl)iminomethyl]phenol has a molecular weight of 396.24 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-methoxydibenzofuran-3-yl)iminomethyl]phenol is sourced from PubChem (CID 1280943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).