4-methanimidoylphenol

C7H7NO — CID 135768597

IUPAC4-methanimidoylphenol
SMILES[H]/N=C/c1ccc(O)cc1
InChIInChI=1S/C7H7NO/c8-5-6-1-3-7(9)4-2-6/h1-5,8-9H/b8-5+
InChIKeyMKFWRKQWPNGLAU-VMPITWQZSA-N
MW121.14 g/mol
LogP1.39
Rot. Bonds1

About 4-methanimidoylphenol

4-methanimidoylphenol (PubChem CID 135768597) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 4-methanimidoylphenol.

Molecular Properties

Compound Name4-methanimidoylphenol
PubChem CID135768597
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name4-methanimidoylphenol
SMILES[H]/N=C/c1ccc(O)cc1
InChIInChI=1S/C7H7NO/c8-5-6-1-3-7(9)4-2-6/h1-5,8-9H/b8-5+
InChIKeyMKFWRKQWPNGLAU-VMPITWQZSA-N
XLogP1.39
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methanimidoylphenol;methyl 3-phenylpropanoate
CID 142062615
(4-isocyanophenyl)methanimine
CID 59962702
(4-propan-2-ylphenyl)methanimine
CID 22483394
5-methanimidoyl-2-methoxyphenol
CID 23221891
1-(4-methanimidoylphenyl)-2-methylpropan-1-one
CID 155200840
(4-methoxyphenyl)methanimine;phenylmethanimine
CID 157101664
methyl 4-(4-methanimidoylphenyl)benzoate
CID 142312095
methane;(4-phenylphenyl)methanimine;[4-(3-phenylphenyl)phenyl]methanimine;[4-[3-(3-phenylphenyl)phenyl]phenyl]methanimine;[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]methanimine
CID 167704574
N-ethyl-1-(4-methanimidoylphenyl)ethenamine
CID 142184056
2-amino-3-(4-methanimidoylphenyl)propanoic acid
CID 143283846
4-(3-methanimidoyl-4-methoxyphenyl)phenol
CID 144875511
ethyl 2-(4-methanimidoylphenyl)acetate
CID 86679361

Frequently Asked Questions

What is the IUPAC name of 4-methanimidoylphenol?
The IUPAC name of 4-methanimidoylphenol (CID 135768597) is 4-methanimidoylphenol.
What is the SMILES notation for 4-methanimidoylphenol?
The canonical SMILES for 4-methanimidoylphenol is [H]/N=C/c1ccc(O)cc1.
What is the InChIKey of 4-methanimidoylphenol?
The InChIKey is MKFWRKQWPNGLAU-VMPITWQZSA-N. The full InChI is InChI=1S/C7H7NO/c8-5-6-1-3-7(9)4-2-6/h1-5,8-9H/b8-5+.
What are the key properties of 4-methanimidoylphenol?
4-methanimidoylphenol has a molecular weight of 121.14 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoylphenol is sourced from PubChem (CID 135768597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).