2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol

C19H13ClN2O4 — CID 137172953

IUPAC2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cccc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1O
InChIInChI=1S/C19H13ClN2O4/c20-14-4-2-5-17(11-14)26-16-9-7-15(8-10-16)21-12-13-3-1-6-18(19(13)23)22(24)25/h1-12,23H/b21-12+
InChIKeyIWDCDPRNRKAMND-CIAFOILYSA-N
MW368.78 g/mol
LogP5.50
Rot. Bonds5

About 2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol

2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol (PubChem CID 137172953) has the molecular formula C19H13ClN2O4 and a molecular weight of 368.78 g/mol. Its IUPAC name is 2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol.

Molecular Properties

Compound Name2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol
PubChem CID137172953
Molecular FormulaC19H13ClN2O4
Molecular Weight368.78 g/mol
Exact Mass368.06
IUPAC Name2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cccc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1O
InChIInChI=1S/C19H13ClN2O4/c20-14-4-2-5-17(11-14)26-16-9-7-15(8-10-16)21-12-13-3-1-6-18(19(13)23)22(24)25/h1-12,23H/b21-12+
InChIKeyIWDCDPRNRKAMND-CIAFOILYSA-N
XLogP5.50
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.78
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

2-[[4-(4-methylphenoxy)phenyl]iminomethyl]-6-nitrophenol
CID 137172966
2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
CID 3429052
2-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 5159990
2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol
CID 135939522
4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol
CID 135595071
4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol
CID 137085630
1-chloro-3-(4-nitrophenoxy)benzene
CID 16815
3-[[4-[4-[(3-formyl-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-2-hydroxybenzaldehyde
CID 137256651
2-bromo-6-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]-4-nitrophenol
CID 137043467
2-(methyliminomethyl)-6-nitrophenol
CID 4779353
N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 520164
4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol
CID 135595089

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol?
The IUPAC name of 2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol (CID 137172953) is 2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol.
What is the SMILES notation for 2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol?
The canonical SMILES for 2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol is O=[N+]([O-])c1cccc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1O.
What is the InChIKey of 2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol?
The InChIKey is IWDCDPRNRKAMND-CIAFOILYSA-N. The full InChI is InChI=1S/C19H13ClN2O4/c20-14-4-2-5-17(11-14)26-16-9-7-15(8-10-16)21-12-13-3-1-6-18(19(13)23)22(24)25/h1-12,23H/b21-12+.
What are the key properties of 2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol?
2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol has a molecular weight of 368.78 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol is sourced from PubChem (CID 137172953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).