4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol

C16H17ClN2O2 — CID 3407751

IUPAC4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
SMILESCCOc1cc(C=NNc2ccc(C)c(Cl)c2)ccc1O
InChIInChI=1S/C16H17ClN2O2/c1-3-21-16-8-12(5-7-15(16)20)10-18-19-13-6-4-11(2)14(17)9-13/h4-10,19-20H,3H2,1-2H3
InChIKeyUNJOFAPMLFWPHH-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.20
Rot. Bonds5

About 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol

4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol (PubChem CID 3407751) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
PubChem CID3407751
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
SMILESCCOc1cc(C=NNc2ccc(C)c(Cl)c2)ccc1O
InChIInChI=1S/C16H17ClN2O2/c1-3-21-16-8-12(5-7-15(16)20)10-18-19-13-6-4-11(2)14(17)9-13/h4-10,19-20H,3H2,1-2H3
InChIKeyUNJOFAPMLFWPHH-UHFFFAOYSA-N
XLogP4.20
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135676115
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135675775
4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135576630
N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-chloro-4-methylaniline
CID 110506495
(2R)-2-[4-[(Z)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide
CID 9069238
3-chloro-N-[(E)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110506468
3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505280
2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 4674688
2-ethoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 136704774
4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-ethoxyphenol
CID 135609871
4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135620435
potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate
CID 135458846

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol?
The IUPAC name of 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol (CID 3407751) is 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol is CCOc1cc(C=NNc2ccc(C)c(Cl)c2)ccc1O.
What is the InChIKey of 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol?
The InChIKey is UNJOFAPMLFWPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-21-16-8-12(5-7-15(16)20)10-18-19-13-6-4-11(2)14(17)9-13/h4-10,19-20H,3H2,1-2H3.
What are the key properties of 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol?
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol has a molecular weight of 304.78 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol is sourced from PubChem (CID 3407751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).