2-methanimidoylphenol;2-(pentan-2-yliminomethyl)phenol

C19H24N2O2 — CID 142858114

IUPAC2-methanimidoylphenol;2-(pentan-2-yliminomethyl)phenol
SMILESCCCC(C)/N=C/c1ccccc1O.[H]/N=C/c1ccccc1O
InChIInChI=1S/C12H17NO.C7H7NO/c1-3-6-10(2)13-9-11-7-4-5-8-12(11)14;8-5-6-3-1-2-4-7(6)9/h4-5,7-10,14H,3,6H2,1-2H3;1-5,8-9H/b13-9+;8-5+
InChIKeyFDLIUMVNLRESRU-CPJQREMBSA-N
MW312.41 g/mol
LogP4.39
Rot. Bonds5

About 2-methanimidoylphenol;2-(pentan-2-yliminomethyl)phenol

2-methanimidoylphenol;2-(pentan-2-yliminomethyl)phenol (PubChem CID 142858114) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-methanimidoylphenol;2-(pentan-2-yliminomethyl)phenol.

Molecular Properties

Compound Name2-methanimidoylphenol;2-(pentan-2-yliminomethyl)phenol
PubChem CID142858114
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-methanimidoylphenol;2-(pentan-2-yliminomethyl)phenol
SMILESCCCC(C)/N=C/c1ccccc1O.[H]/N=C/c1ccccc1O
InChIInChI=1S/C12H17NO.C7H7NO/c1-3-6-10(2)13-9-11-7-4-5-8-12(11)14;8-5-6-3-1-2-4-7(6)9/h4-5,7-10,14H,3,6H2,1-2H3;1-5,8-9H/b13-9+;8-5+
InChIKeyFDLIUMVNLRESRU-CPJQREMBSA-N
XLogP4.39
TPSA76.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.39
H-Bond Donors ≤ 53
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 2-methanimidoylphenol;2-(pentan-2-yliminomethyl)phenol?
The IUPAC name of 2-methanimidoylphenol;2-(pentan-2-yliminomethyl)phenol (CID 142858114) is 2-methanimidoylphenol;2-(pentan-2-yliminomethyl)phenol.
What is the SMILES notation for 2-methanimidoylphenol;2-(pentan-2-yliminomethyl)phenol?
The canonical SMILES for 2-methanimidoylphenol;2-(pentan-2-yliminomethyl)phenol is CCCC(C)/N=C/c1ccccc1O.[H]/N=C/c1ccccc1O.
What is the InChIKey of 2-methanimidoylphenol;2-(pentan-2-yliminomethyl)phenol?
The InChIKey is FDLIUMVNLRESRU-CPJQREMBSA-N. The full InChI is InChI=1S/C12H17NO.C7H7NO/c1-3-6-10(2)13-9-11-7-4-5-8-12(11)14;8-5-6-3-1-2-4-7(6)9/h4-5,7-10,14H,3,6H2,1-2H3;1-5,8-9H/b13-9+;8-5+.
What are the key properties of 2-methanimidoylphenol;2-(pentan-2-yliminomethyl)phenol?
2-methanimidoylphenol;2-(pentan-2-yliminomethyl)phenol has a molecular weight of 312.41 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoylphenol;2-(pentan-2-yliminomethyl)phenol is sourced from PubChem (CID 142858114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).