4-[(3-methoxyphenyl)iminomethyl]phenol

C14H13NO2 — CID 614899

IUPAC4-[(3-methoxyphenyl)iminomethyl]phenol
SMILESCOc1cccc(/N=C/c2ccc(O)cc2)c1
InChIInChI=1S/C14H13NO2/c1-17-14-4-2-3-12(9-14)15-10-11-5-7-13(16)8-6-11/h2-10,16H,1H3/b15-10+
InChIKeyKGGMWVBGURKNQZ-XNTDXEJSSA-N
MW227.26 g/mol
LogP3.15
Rot. Bonds3

About 4-[(3-methoxyphenyl)iminomethyl]phenol

4-[(3-methoxyphenyl)iminomethyl]phenol (PubChem CID 614899) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)iminomethyl]phenol
PubChem CID614899
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name4-[(3-methoxyphenyl)iminomethyl]phenol
SMILESCOc1cccc(/N=C/c2ccc(O)cc2)c1
InChIInChI=1S/C14H13NO2/c1-17-14-4-2-3-12(9-14)15-10-11-5-7-13(16)8-6-11/h2-10,16H,1H3/b15-10+
InChIKeyKGGMWVBGURKNQZ-XNTDXEJSSA-N
XLogP3.15
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.15
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-[(3-methoxyphenyl)iminomethyl]phenol?
The IUPAC name of 4-[(3-methoxyphenyl)iminomethyl]phenol (CID 614899) is 4-[(3-methoxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-[(3-methoxyphenyl)iminomethyl]phenol?
The canonical SMILES for 4-[(3-methoxyphenyl)iminomethyl]phenol is COc1cccc(/N=C/c2ccc(O)cc2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)iminomethyl]phenol?
The InChIKey is KGGMWVBGURKNQZ-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H13NO2/c1-17-14-4-2-3-12(9-14)15-10-11-5-7-13(16)8-6-11/h2-10,16H,1H3/b15-10+.
What are the key properties of 4-[(3-methoxyphenyl)iminomethyl]phenol?
4-[(3-methoxyphenyl)iminomethyl]phenol has a molecular weight of 227.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 614899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).