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

C17H16ClF3N2O2 — CID 4662927

IUPAC2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(C=NNc2cc(C(F)(F)F)ccc2Cl)c(O)c1
InChIInChI=1S/C17H16ClF3N2O2/c1-2-7-25-13-5-3-11(16(24)9-13)10-22-23-15-8-12(17(19,20)21)4-6-14(15)18/h3-6,8-10,23-24H,2,7H2,1H3
InChIKeyYHTVRAUQNPJRMI-UHFFFAOYSA-N
MW372.77 g/mol
LogP5.30
Rot. Bonds6

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

2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol (PubChem CID 4662927) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol.

Molecular Properties

Compound Name2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol
PubChem CID4662927
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC Name2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(C=NNc2cc(C(F)(F)F)ccc2Cl)c(O)c1
InChIInChI=1S/C17H16ClF3N2O2/c1-2-7-25-13-5-3-11(16(24)9-13)10-22-23-15-8-12(17(19,20)21)4-6-14(15)18/h3-6,8-10,23-24H,2,7H2,1H3
InChIKeyYHTVRAUQNPJRMI-UHFFFAOYSA-N
XLogP5.30
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.77
LogP ≤ 55.30
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]-4-methoxyphenol
CID 3287632
2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 4688997
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 135616077
2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 135504514
2-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 3099282
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-propoxyphenyl)prop-2-enamide
CID 2791739
2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 3099332
2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 4674688
N-[(3,5-dichloro-4-propoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841966
2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol
CID 169383696
1-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-3-propan-2-ylthiourea
CID 4573114
N,N-diethyl-4-[2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 5200673

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol?
The IUPAC name of 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol (CID 4662927) is 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol.
What is the SMILES notation for 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol?
The canonical SMILES for 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol is CCCOc1ccc(C=NNc2cc(C(F)(F)F)ccc2Cl)c(O)c1.
What is the InChIKey of 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol?
The InChIKey is YHTVRAUQNPJRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c1-2-7-25-13-5-3-11(16(24)9-13)10-22-23-15-8-12(17(19,20)21)4-6-14(15)18/h3-6,8-10,23-24H,2,7H2,1H3.
What are the key properties of 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol?
2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol has a molecular weight of 372.77 g/mol, XLogP of 5.30, 6 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]-5-propoxyphenol is sourced from PubChem (CID 4662927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).