2-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]phenol

C17H12ClNO2 — CID 867352

IUPAC2-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]phenol
SMILESOc1ccccc1/N=C/c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H12ClNO2/c18-13-7-5-12(6-8-13)17-10-9-14(21-17)11-19-15-3-1-2-4-16(15)20/h1-11,20H/b19-11+
InChIKeyAXXBBWOMMDIEAM-YBFXNURJSA-N
MW297.74 g/mol
LogP5.06
Rot. Bonds3

About 2-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]phenol

2-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]phenol (PubChem CID 867352) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]phenol.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]phenol
PubChem CID867352
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name2-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]phenol
SMILESOc1ccccc1/N=C/c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H12ClNO2/c18-13-7-5-12(6-8-13)17-10-9-14(21-17)11-19-15-3-1-2-4-16(15)20/h1-11,20H/b19-11+
InChIKeyAXXBBWOMMDIEAM-YBFXNURJSA-N
XLogP5.06
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.74
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]phenol?
The IUPAC name of 2-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]phenol (CID 867352) is 2-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]phenol.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]phenol?
The canonical SMILES for 2-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]phenol is Oc1ccccc1/N=C/c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]phenol?
The InChIKey is AXXBBWOMMDIEAM-YBFXNURJSA-N. The full InChI is InChI=1S/C17H12ClNO2/c18-13-7-5-12(6-8-13)17-10-9-14(21-17)11-19-15-3-1-2-4-16(15)20/h1-11,20H/b19-11+.
What are the key properties of 2-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]phenol?
2-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]phenol has a molecular weight of 297.74 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]phenol is sourced from PubChem (CID 867352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).