5-ethoxy-2-[(2-methyl-5-nitrophenyl)iminomethyl]phenol

C16H16N2O4 — CID 4014403

IUPAC5-ethoxy-2-[(2-methyl-5-nitrophenyl)iminomethyl]phenol
SMILESCCOc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2C)c(O)c1
InChIInChI=1S/C16H16N2O4/c1-3-22-14-7-5-12(16(19)9-14)10-17-15-8-13(18(20)21)6-4-11(15)2/h4-10,19H,3H2,1-2H3/b17-10+
InChIKeyQRVLPDRIGYAXSO-LICLKQGHSA-N
MW300.31 g/mol
LogP3.76
Rot. Bonds5

About 5-ethoxy-2-[(2-methyl-5-nitrophenyl)iminomethyl]phenol

5-ethoxy-2-[(2-methyl-5-nitrophenyl)iminomethyl]phenol (PubChem CID 4014403) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-ethoxy-2-[(2-methyl-5-nitrophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[(2-methyl-5-nitrophenyl)iminomethyl]phenol
PubChem CID4014403
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name5-ethoxy-2-[(2-methyl-5-nitrophenyl)iminomethyl]phenol
SMILESCCOc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2C)c(O)c1
InChIInChI=1S/C16H16N2O4/c1-3-22-14-7-5-12(16(19)9-14)10-17-15-8-13(18(20)21)6-4-11(15)2/h4-10,19H,3H2,1-2H3/b17-10+
InChIKeyQRVLPDRIGYAXSO-LICLKQGHSA-N
XLogP3.76
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[(2-methyl-5-nitrophenyl)iminomethyl]phenol?
The IUPAC name of 5-ethoxy-2-[(2-methyl-5-nitrophenyl)iminomethyl]phenol (CID 4014403) is 5-ethoxy-2-[(2-methyl-5-nitrophenyl)iminomethyl]phenol.
What is the SMILES notation for 5-ethoxy-2-[(2-methyl-5-nitrophenyl)iminomethyl]phenol?
The canonical SMILES for 5-ethoxy-2-[(2-methyl-5-nitrophenyl)iminomethyl]phenol is CCOc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2C)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[(2-methyl-5-nitrophenyl)iminomethyl]phenol?
The InChIKey is QRVLPDRIGYAXSO-LICLKQGHSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-22-14-7-5-12(16(19)9-14)10-17-15-8-13(18(20)21)6-4-11(15)2/h4-10,19H,3H2,1-2H3/b17-10+.
What are the key properties of 5-ethoxy-2-[(2-methyl-5-nitrophenyl)iminomethyl]phenol?
5-ethoxy-2-[(2-methyl-5-nitrophenyl)iminomethyl]phenol has a molecular weight of 300.31 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[(2-methyl-5-nitrophenyl)iminomethyl]phenol is sourced from PubChem (CID 4014403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).