4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol

C15H13F3N2O2 — CID 137292524

IUPAC4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/NCc2ccc(C(F)(F)F)cc2)c(O)c1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)12-4-1-10(2-5-12)8-19-20-9-11-3-6-13(21)7-14(11)22/h1-7,9,19,21-22H,8H2/b20-9+
InChIKeyJAKMTPYJEJCZOC-AWQFTUOYSA-N
MW310.28 g/mol
LogP3.24
Rot. Bonds4

About 4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol

4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 137292524) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol
PubChem CID137292524
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/NCc2ccc(C(F)(F)F)cc2)c(O)c1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)12-4-1-10(2-5-12)8-19-20-9-11-3-6-13(21)7-14(11)22/h1-7,9,19,21-22H,8H2/b20-9+
InChIKeyJAKMTPYJEJCZOC-AWQFTUOYSA-N
XLogP3.24
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(2E)-2-[(3-chloro-4-methylphenyl)methylidene]hydrazinyl]methyl]benzene-1,3-diol
CID 134153895
4-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzene-1,3-diol
CID 136226201
4-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
CID 137289962
2,4-Dihydroxybenzaldehyde phenylhydrazone
CID 135747344
5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol
CID 137314309
5-propoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
CID 137316429
5-methoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
CID 137317590
4-((2-(Perfluorophenyl)hydrazono)methyl)benzene-1,3-diol
CID 136341827
4-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol
CID 137155529
4-((2-Phenylhydrazono)methyl)benzene-1,3-diol
CID 564855
4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135730451
2-fluoro-6-[(E)-[(2-hydroxyphenyl)methylhydrazinylidene]methyl]phenol
CID 135736163

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol (CID 137292524) is 4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol is Oc1ccc(/C=N/NCc2ccc(C(F)(F)F)cc2)c(O)c1.
What is the InChIKey of 4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is JAKMTPYJEJCZOC-AWQFTUOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c16-15(17,18)12-4-1-10(2-5-12)8-19-20-9-11-3-6-13(21)7-14(11)22/h1-7,9,19,21-22H,8H2/b20-9+.
What are the key properties of 4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 310.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 137292524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).