5-(3,5-dichlorophenyl)-2-methanehydrazonoylphenol

C13H10Cl2N2O — CID 168530020

IUPAC5-(3,5-dichlorophenyl)-2-methanehydrazonoylphenol
SMILESNN=Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1O
InChIInChI=1S/C13H10Cl2N2O/c14-11-3-10(4-12(15)6-11)8-1-2-9(7-17-16)13(18)5-8/h1-7,18H,16H2
InChIKeyOIKNXEZQNFZZCC-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.66
Rot. Bonds2

About 5-(3,5-dichlorophenyl)-2-methanehydrazonoylphenol

5-(3,5-dichlorophenyl)-2-methanehydrazonoylphenol (PubChem CID 168530020) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-2-methanehydrazonoylphenol.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-2-methanehydrazonoylphenol
PubChem CID168530020
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name5-(3,5-dichlorophenyl)-2-methanehydrazonoylphenol
SMILESNN=Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1O
InChIInChI=1S/C13H10Cl2N2O/c14-11-3-10(4-12(15)6-11)8-1-2-9(7-17-16)13(18)5-8/h1-7,18H,16H2
InChIKeyOIKNXEZQNFZZCC-UHFFFAOYSA-N
XLogP3.66
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

methyl (2E)-2-[(2Z)-2-[[4-(3,5-dichlorophenyl)-2-hydroxyphenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 172925626
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
copper;2-[(E)-hydrazinylidenemethyl]phenol;hydrate
CID 137286073
4-chloro-3-methanehydrazonoylphenol
CID 168529180
3-methanehydrazonoylnaphthalen-2-ol
CID 915671
2-bromo-4-chloro-6-methanehydrazonoylphenol
CID 136503874
(4-chloro-2-ethylphenyl)methylidenehydrazine
CID 168530938
[5-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazine
CID 168529065
[4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine
CID 168529149
4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde
CID 53220375
4-(3-chloro-5-methylphenyl)-2-methylphenol
CID 53218974
(E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane
CID 176569325

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-2-methanehydrazonoylphenol?
The IUPAC name of 5-(3,5-dichlorophenyl)-2-methanehydrazonoylphenol (CID 168530020) is 5-(3,5-dichlorophenyl)-2-methanehydrazonoylphenol.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-2-methanehydrazonoylphenol?
The canonical SMILES for 5-(3,5-dichlorophenyl)-2-methanehydrazonoylphenol is NN=Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1O.
What is the InChIKey of 5-(3,5-dichlorophenyl)-2-methanehydrazonoylphenol?
The InChIKey is OIKNXEZQNFZZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c14-11-3-10(4-12(15)6-11)8-1-2-9(7-17-16)13(18)5-8/h1-7,18H,16H2.
What are the key properties of 5-(3,5-dichlorophenyl)-2-methanehydrazonoylphenol?
5-(3,5-dichlorophenyl)-2-methanehydrazonoylphenol has a molecular weight of 281.14 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-2-methanehydrazonoylphenol is sourced from PubChem (CID 168530020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).