4-[(4-methoxyphenyl)iminomethyl]benzene-1,3-diol

C14H13NO3 — CID 791266

IUPAC4-[(4-methoxyphenyl)iminomethyl]benzene-1,3-diol
SMILESCOc1ccc(/N=C/c2ccc(O)cc2O)cc1
InChIInChI=1S/C14H13NO3/c1-18-13-6-3-11(4-7-13)15-9-10-2-5-12(16)8-14(10)17/h2-9,16-17H,1H3/b15-9+
InChIKeyCTXDEVRXZDQMHD-OQLLNIDSSA-N
MW243.26 g/mol
LogP2.86
Rot. Bonds3

About 4-[(4-methoxyphenyl)iminomethyl]benzene-1,3-diol

4-[(4-methoxyphenyl)iminomethyl]benzene-1,3-diol (PubChem CID 791266) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)iminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)iminomethyl]benzene-1,3-diol
PubChem CID791266
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name4-[(4-methoxyphenyl)iminomethyl]benzene-1,3-diol
SMILESCOc1ccc(/N=C/c2ccc(O)cc2O)cc1
InChIInChI=1S/C14H13NO3/c1-18-13-6-3-11(4-7-13)15-9-10-2-5-12(16)8-14(10)17/h2-9,16-17H,1H3/b15-9+
InChIKeyCTXDEVRXZDQMHD-OQLLNIDSSA-N
XLogP2.86
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.86
H-Bond Donors ≤ 52
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 4-[(4-methoxyphenyl)iminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[(4-methoxyphenyl)iminomethyl]benzene-1,3-diol (CID 791266) is 4-[(4-methoxyphenyl)iminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(4-methoxyphenyl)iminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[(4-methoxyphenyl)iminomethyl]benzene-1,3-diol is COc1ccc(/N=C/c2ccc(O)cc2O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)iminomethyl]benzene-1,3-diol?
The InChIKey is CTXDEVRXZDQMHD-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-13-6-3-11(4-7-13)15-9-10-2-5-12(16)8-14(10)17/h2-9,16-17H,1H3/b15-9+.
What are the key properties of 4-[(4-methoxyphenyl)iminomethyl]benzene-1,3-diol?
4-[(4-methoxyphenyl)iminomethyl]benzene-1,3-diol has a molecular weight of 243.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)iminomethyl]benzene-1,3-diol is sourced from PubChem (CID 791266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).