4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol

C15H13ClN2O4 — CID 137117281

IUPAC4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol
SMILESCOc1cc(/C=N/c2cc(Cl)ccc2C)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H13ClN2O4/c1-9-3-4-11(16)7-12(9)17-8-10-5-13(18(20)21)15(19)14(6-10)22-2/h3-8,19H,1-2H3/b17-8+
InChIKeyBQMPDCRVYUAUIT-CAOOACKPSA-N
MW320.73 g/mol
LogP4.02
Rot. Bonds4

About 4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol

4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol (PubChem CID 137117281) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol.

Molecular Properties

Compound Name4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol
PubChem CID137117281
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol
SMILESCOc1cc(/C=N/c2cc(Cl)ccc2C)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H13ClN2O4/c1-9-3-4-11(16)7-12(9)17-8-10-5-13(18(20)21)15(19)14(6-10)22-2/h3-8,19H,1-2H3/b17-8+
InChIKeyBQMPDCRVYUAUIT-CAOOACKPSA-N
XLogP4.02
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 54.02
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-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol
CID 135851114
4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135622238
N-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 126218322
4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135593942
4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 4965646
4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzoic acid
CID 135573756
N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 136873511
N-(3,4-dimethylphenyl)-N'-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide
CID 135813828
N-(5-chloro-2-methylphenyl)-1-[4-(2,4-dinitrophenoxy)phenyl]methanimine
CID 126209083
4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 1378103
4-[(E)-[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135608137
2-(2,4-dichlorophenoxy)-N-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]propanamide
CID 5003322

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol?
The IUPAC name of 4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol (CID 137117281) is 4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol.
What is the SMILES notation for 4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol?
The canonical SMILES for 4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol is COc1cc(/C=N/c2cc(Cl)ccc2C)cc([N+](=O)[O-])c1O.
What is the InChIKey of 4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol?
The InChIKey is BQMPDCRVYUAUIT-CAOOACKPSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-9-3-4-11(16)7-12(9)17-8-10-5-13(18(20)21)15(19)14(6-10)22-2/h3-8,19H,1-2H3/b17-8+.
What are the key properties of 4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol?
4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol has a molecular weight of 320.73 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol is sourced from PubChem (CID 137117281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).