2-methoxy-4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol

C17H18N2O2 — CID 135911671

IUPAC2-methoxy-4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol
SMILESCOc1cc(/C=C/C(C)=NNc2ccccc2)ccc1O
InChIInChI=1S/C17H18N2O2/c1-13(18-19-15-6-4-3-5-7-15)8-9-14-10-11-16(20)17(12-14)21-2/h3-12,19-20H,1-2H3/b9-8+,18-13?
InChIKeyCARBZLPSZKHGRZ-KDULSGBTSA-N
MW282.34 g/mol
LogP3.90
Rot. Bonds5

About 2-methoxy-4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol

2-methoxy-4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol (PubChem CID 135911671) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol
PubChem CID135911671
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-methoxy-4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol
SMILESCOc1cc(/C=C/C(C)=NNc2ccccc2)ccc1O
InChIInChI=1S/C17H18N2O2/c1-13(18-19-15-6-4-3-5-7-15)8-9-14-10-11-16(20)17(12-14)21-2/h3-12,19-20H,1-2H3/b9-8+,18-13?
InChIKeyCARBZLPSZKHGRZ-KDULSGBTSA-N
XLogP3.90
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol (CID 135911671) is 2-methoxy-4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol is COc1cc(/C=C/C(C)=NNc2ccccc2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol?
The InChIKey is CARBZLPSZKHGRZ-KDULSGBTSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13(18-19-15-6-4-3-5-7-15)8-9-14-10-11-16(20)17(12-14)21-2/h3-12,19-20H,1-2H3/b9-8+,18-13?.
What are the key properties of 2-methoxy-4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol?
2-methoxy-4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol has a molecular weight of 282.34 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol is sourced from PubChem (CID 135911671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).