4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-nitrophenol

C14H10Cl2N2O3 — CID 3529933

IUPAC4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-nitrophenol
SMILESCc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c1-8-2-3-11(6-12(8)16)17-7-9-4-10(15)5-13(14(9)19)18(20)21/h2-7,19H,1H3/b17-7+
InChIKeyOYAOBPROACLBHQ-REZTVBANSA-N
MW325.15 g/mol
LogP4.67
Rot. Bonds3

About 4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-nitrophenol

4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-nitrophenol (PubChem CID 3529933) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-nitrophenol
PubChem CID3529933
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-nitrophenol
SMILESCc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c1-8-2-3-11(6-12(8)16)17-7-9-4-10(15)5-13(14(9)19)18(20)21/h2-7,19H,1H3/b17-7+
InChIKeyOYAOBPROACLBHQ-REZTVBANSA-N
XLogP4.67
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-nitrophenol?
The IUPAC name of 4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-nitrophenol (CID 3529933) is 4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-nitrophenol.
What is the SMILES notation for 4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-nitrophenol?
The canonical SMILES for 4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-nitrophenol is Cc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1Cl.
What is the InChIKey of 4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-nitrophenol?
The InChIKey is OYAOBPROACLBHQ-REZTVBANSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c1-8-2-3-11(6-12(8)16)17-7-9-4-10(15)5-13(14(9)19)18(20)21/h2-7,19H,1H3/b17-7+.
What are the key properties of 4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-nitrophenol?
4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-nitrophenol has a molecular weight of 325.15 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-nitrophenol is sourced from PubChem (CID 3529933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).