2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol

C15H12ClF3N2O2 — CID 3287632

IUPAC2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C=NNc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C15H12ClF3N2O2/c1-23-11-3-5-14(22)9(6-11)8-20-21-13-7-10(15(17,18)19)2-4-12(13)16/h2-8,21-22H,1H3
InChIKeyUZETUPWBRTXHOC-UHFFFAOYSA-N
MW344.72 g/mol
LogP4.52
Rot. Bonds4

About 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol

2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol (PubChem CID 3287632) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol
PubChem CID3287632
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC Name2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C=NNc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C15H12ClF3N2O2/c1-23-11-3-5-14(22)9(6-11)8-20-21-13-7-10(15(17,18)19)2-4-12(13)16/h2-8,21-22H,1H3
InChIKeyUZETUPWBRTXHOC-UHFFFAOYSA-N
XLogP4.52
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 4688997
4-methoxy-2-[(E)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135678800
2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol
CID 4662927
4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 4050395
2-chloro-N-[(3-methylphenyl)methylideneamino]-5-(trifluoromethyl)aniline
CID 3532442
2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol
CID 135606976
N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide
CID 136611999
N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]butanediamide
CID 135567726
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide
CID 4166909
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135679282
2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline
CID 6015562
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
CID 137072479

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol (CID 3287632) is 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol is COc1ccc(O)c(C=NNc2cc(C(F)(F)F)ccc2Cl)c1.
What is the InChIKey of 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol?
The InChIKey is UZETUPWBRTXHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c1-23-11-3-5-14(22)9(6-11)8-20-21-13-7-10(15(17,18)19)2-4-12(13)16/h2-8,21-22H,1H3.
What are the key properties of 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol?
2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol has a molecular weight of 344.72 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol is sourced from PubChem (CID 3287632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).