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

C14H12FNO2 — CID 794661

IUPAC4-[(3-fluoro-4-methylphenyl)iminomethyl]benzene-1,3-diol
SMILESCc1ccc(/N=C/c2ccc(O)cc2O)cc1F
InChIInChI=1S/C14H12FNO2/c1-9-2-4-11(6-13(9)15)16-8-10-3-5-12(17)7-14(10)18/h2-8,17-18H,1H3/b16-8+
InChIKeyGMKGSMLWXBWFSQ-LZYBPNLTSA-N
MW245.25 g/mol
LogP3.30
Rot. Bonds2

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

4-[(3-fluoro-4-methylphenyl)iminomethyl]benzene-1,3-diol (PubChem CID 794661) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methylphenyl)iminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(3-fluoro-4-methylphenyl)iminomethyl]benzene-1,3-diol
PubChem CID794661
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name4-[(3-fluoro-4-methylphenyl)iminomethyl]benzene-1,3-diol
SMILESCc1ccc(/N=C/c2ccc(O)cc2O)cc1F
InChIInChI=1S/C14H12FNO2/c1-9-2-4-11(6-13(9)15)16-8-10-3-5-12(17)7-14(10)18/h2-8,17-18H,1H3/b16-8+
InChIKeyGMKGSMLWXBWFSQ-LZYBPNLTSA-N
XLogP3.30
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-salicylidene-o-aminophenol
CID 74479
Salicylideneaniline
CID 136621
Alpha-(4-hydroxyphenylimino)-O-cresol
CID 219803
Benzene-1,3-diol, 4-(2-hydroxyphenyliminomethyl)-
CID 556793
Alpha-(4-hydroxyphenylimino)-P-cresol
CID 473148
Alpha-(4-cyanophenylimino)-O-cresol
CID 273755
4-{(E)-[(4-methylphenyl)imino]methyl}phenol
CID 611166
3-Fluoro-N-(2-hydroxybenzylidene)aniline
CID 3827791
4-[[(4-Fluorophenyl)imino]methyl]phenol
CID 720254
4-{(E)-(4-Hydroxyphenyl)[(2-Methylphenyl)imino]methyl}benzene-1,3-Diol
CID 136046139
4-[(E)-[(4-Fluorophenyl)imino](4-Hydroxyphenyl)methyl]benzene-1,3-Diol
CID 136046146
4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol
CID 774534

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methylphenyl)iminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[(3-fluoro-4-methylphenyl)iminomethyl]benzene-1,3-diol (CID 794661) is 4-[(3-fluoro-4-methylphenyl)iminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(3-fluoro-4-methylphenyl)iminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[(3-fluoro-4-methylphenyl)iminomethyl]benzene-1,3-diol is Cc1ccc(/N=C/c2ccc(O)cc2O)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methylphenyl)iminomethyl]benzene-1,3-diol?
The InChIKey is GMKGSMLWXBWFSQ-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-9-2-4-11(6-13(9)15)16-8-10-3-5-12(17)7-14(10)18/h2-8,17-18H,1H3/b16-8+.
What are the key properties of 4-[(3-fluoro-4-methylphenyl)iminomethyl]benzene-1,3-diol?
4-[(3-fluoro-4-methylphenyl)iminomethyl]benzene-1,3-diol has a molecular weight of 245.25 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methylphenyl)iminomethyl]benzene-1,3-diol is sourced from PubChem (CID 794661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).