3-[(E)-[(3-chloro-2-methylphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid

C15H13ClN2O3 — CID 135433508

IUPAC3-[(E)-[(3-chloro-2-methylphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid
SMILESCc1c(Cl)cccc1N/N=C/c1cc(C(=O)O)ccc1O
InChIInChI=1S/C15H13ClN2O3/c1-9-12(16)3-2-4-13(9)18-17-8-11-7-10(15(20)21)5-6-14(11)19/h2-8,18-19H,1H3,(H,20,21)/b17-8+
InChIKeySHWMJDUIYQLQBT-CAOOACKPSA-N
MW304.73 g/mol
LogP3.50
Rot. Bonds4

About 3-[(E)-[(3-chloro-2-methylphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid

3-[(E)-[(3-chloro-2-methylphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid (PubChem CID 135433508) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 3-[(E)-[(3-chloro-2-methylphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(E)-[(3-chloro-2-methylphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid
PubChem CID135433508
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name3-[(E)-[(3-chloro-2-methylphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid
SMILESCc1c(Cl)cccc1N/N=C/c1cc(C(=O)O)ccc1O
InChIInChI=1S/C15H13ClN2O3/c1-9-12(16)3-2-4-13(9)18-17-8-11-7-10(15(20)21)5-6-14(11)19/h2-8,18-19H,1H3,(H,20,21)/b17-8+
InChIKeySHWMJDUIYQLQBT-CAOOACKPSA-N
XLogP3.50
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.50
H-Bond Donors ≤ 53
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

3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid
CID 135406957
4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid
CID 135433589
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136807782
4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136867347
4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 8973526
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 136891004
3-[[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamothioylamino]benzoic acid
CID 136851899
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid
CID 45463584
3-[(2Z)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzoic acid
CID 135775232
3-bromo-4-[(3-chloro-2-methylanilino)methyl]benzoic acid
CID 103232223
3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide
CID 135759804

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[(3-chloro-2-methylphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid?
The IUPAC name of 3-[(E)-[(3-chloro-2-methylphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid (CID 135433508) is 3-[(E)-[(3-chloro-2-methylphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-[(E)-[(3-chloro-2-methylphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid?
The canonical SMILES for 3-[(E)-[(3-chloro-2-methylphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid is Cc1c(Cl)cccc1N/N=C/c1cc(C(=O)O)ccc1O.
What is the InChIKey of 3-[(E)-[(3-chloro-2-methylphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid?
The InChIKey is SHWMJDUIYQLQBT-CAOOACKPSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-9-12(16)3-2-4-13(9)18-17-8-11-7-10(15(20)21)5-6-14(11)19/h2-8,18-19H,1H3,(H,20,21)/b17-8+.
What are the key properties of 3-[(E)-[(3-chloro-2-methylphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid?
3-[(E)-[(3-chloro-2-methylphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid has a molecular weight of 304.73 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[(3-chloro-2-methylphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid is sourced from PubChem (CID 135433508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).