2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol

C16H17ClN2O2 — CID 4674688

IUPAC2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol
SMILESCCOc1ccc(C=NNc2ccc(C)c(Cl)c2)c(O)c1
InChIInChI=1S/C16H17ClN2O2/c1-3-21-14-7-5-12(16(20)9-14)10-18-19-13-6-4-11(2)15(17)8-13/h4-10,19-20H,3H2,1-2H3
InChIKeyBKEIQVOMTWHAOC-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.20
Rot. Bonds5

About 2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol

2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol (PubChem CID 4674688) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol.

Molecular Properties

Compound Name2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol
PubChem CID4674688
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol
SMILESCCOc1ccc(C=NNc2ccc(C)c(Cl)c2)c(O)c1
InChIInChI=1S/C16H17ClN2O2/c1-3-21-14-7-5-12(16(20)9-14)10-18-19-13-6-4-11(2)15(17)8-13/h4-10,19-20H,3H2,1-2H3
InChIKeyBKEIQVOMTWHAOC-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_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

5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135676045
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 135616077
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 3407751
2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 3099406
4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135676115
2-(3,4-dimethylphenoxy)-N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135590117
2-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 3099282
3-chloro-N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-methylaniline
CID 110506565
N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-chloro-4-methylaniline
CID 110506495
2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 135822458
1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 3502154
3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110842484

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol?
The IUPAC name of 2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol (CID 4674688) is 2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol.
What is the SMILES notation for 2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol?
The canonical SMILES for 2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol is CCOc1ccc(C=NNc2ccc(C)c(Cl)c2)c(O)c1.
What is the InChIKey of 2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol?
The InChIKey is BKEIQVOMTWHAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-21-14-7-5-12(16(20)9-14)10-18-19-13-6-4-11(2)15(17)8-13/h4-10,19-20H,3H2,1-2H3.
What are the key properties of 2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol?
2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-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 2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol is sourced from PubChem (CID 4674688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).