4-[(5-methylfuran-2-yl)methylideneamino]phenol

C12H11NO2 — CID 793223

IUPAC4-[(5-methylfuran-2-yl)methylideneamino]phenol
SMILESCc1ccc(/C=N/c2ccc(O)cc2)o1
InChIInChI=1S/C12H11NO2/c1-9-2-7-12(15-9)8-13-10-3-5-11(14)6-4-10/h2-8,14H,1H3/b13-8+
InChIKeySAJWDDGRRUKYAR-MDWZMJQESA-N
MW201.22 g/mol
LogP3.04
Rot. Bonds2

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

4-[(5-methylfuran-2-yl)methylideneamino]phenol (PubChem CID 793223) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-[(5-methylfuran-2-yl)methylideneamino]phenol.

Molecular Properties

Compound Name4-[(5-methylfuran-2-yl)methylideneamino]phenol
PubChem CID793223
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name4-[(5-methylfuran-2-yl)methylideneamino]phenol
SMILESCc1ccc(/C=N/c2ccc(O)cc2)o1
InChIInChI=1S/C12H11NO2/c1-9-2-7-12(15-9)8-13-10-3-5-11(14)6-4-10/h2-8,14H,1H3/b13-8+
InChIKeySAJWDDGRRUKYAR-MDWZMJQESA-N
XLogP3.04
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 53.04
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 4-[(5-methylfuran-2-yl)methylideneamino]phenol?
The IUPAC name of 4-[(5-methylfuran-2-yl)methylideneamino]phenol (CID 793223) is 4-[(5-methylfuran-2-yl)methylideneamino]phenol.
What is the SMILES notation for 4-[(5-methylfuran-2-yl)methylideneamino]phenol?
The canonical SMILES for 4-[(5-methylfuran-2-yl)methylideneamino]phenol is Cc1ccc(/C=N/c2ccc(O)cc2)o1.
What is the InChIKey of 4-[(5-methylfuran-2-yl)methylideneamino]phenol?
The InChIKey is SAJWDDGRRUKYAR-MDWZMJQESA-N. The full InChI is InChI=1S/C12H11NO2/c1-9-2-7-12(15-9)8-13-10-3-5-11(14)6-4-10/h2-8,14H,1H3/b13-8+.
What are the key properties of 4-[(5-methylfuran-2-yl)methylideneamino]phenol?
4-[(5-methylfuran-2-yl)methylideneamino]phenol has a molecular weight of 201.22 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylfuran-2-yl)methylideneamino]phenol is sourced from PubChem (CID 793223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).