4-(3-methanimidoyl-4-methoxyphenyl)phenol

C14H13NO2 — CID 144875511

IUPAC4-(3-methanimidoyl-4-methoxyphenyl)phenol
SMILES[H]/N=C/c1cc(-c2ccc(O)cc2)ccc1OC
InChIInChI=1S/C14H13NO2/c1-17-14-7-4-11(8-12(14)9-15)10-2-5-13(16)6-3-10/h2-9,15-16H,1H3/b15-9+
InChIKeyHEEYNXLHCJGFIP-OQLLNIDSSA-N
MW227.26 g/mol
LogP3.07
Rot. Bonds3

About 4-(3-methanimidoyl-4-methoxyphenyl)phenol

4-(3-methanimidoyl-4-methoxyphenyl)phenol (PubChem CID 144875511) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(3-methanimidoyl-4-methoxyphenyl)phenol.

Molecular Properties

Compound Name4-(3-methanimidoyl-4-methoxyphenyl)phenol
PubChem CID144875511
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name4-(3-methanimidoyl-4-methoxyphenyl)phenol
SMILES[H]/N=C/c1cc(-c2ccc(O)cc2)ccc1OC
InChIInChI=1S/C14H13NO2/c1-17-14-7-4-11(8-12(14)9-15)10-2-5-13(16)6-3-10/h2-9,15-16H,1H3/b15-9+
InChIKeyHEEYNXLHCJGFIP-OQLLNIDSSA-N
XLogP3.07
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.07
H-Bond Donors ≤ 52
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-(3-methanimidoyl-4-methoxyphenyl)phenol?
The IUPAC name of 4-(3-methanimidoyl-4-methoxyphenyl)phenol (CID 144875511) is 4-(3-methanimidoyl-4-methoxyphenyl)phenol.
What is the SMILES notation for 4-(3-methanimidoyl-4-methoxyphenyl)phenol?
The canonical SMILES for 4-(3-methanimidoyl-4-methoxyphenyl)phenol is [H]/N=C/c1cc(-c2ccc(O)cc2)ccc1OC.
What is the InChIKey of 4-(3-methanimidoyl-4-methoxyphenyl)phenol?
The InChIKey is HEEYNXLHCJGFIP-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H13NO2/c1-17-14-7-4-11(8-12(14)9-15)10-2-5-13(16)6-3-10/h2-9,15-16H,1H3/b15-9+.
What are the key properties of 4-(3-methanimidoyl-4-methoxyphenyl)phenol?
4-(3-methanimidoyl-4-methoxyphenyl)phenol has a molecular weight of 227.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methanimidoyl-4-methoxyphenyl)phenol is sourced from PubChem (CID 144875511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).