3,4-dibromo-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol

C16H14Br2N2O5 — CID 4110397

IUPAC3,4-dibromo-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
SMILESCCOc1cc(Br)c(Br)c(/C=N/c2cc([N+](=O)[O-])ccc2OC)c1O
InChIInChI=1S/C16H14Br2N2O5/c1-3-25-14-7-11(17)15(18)10(16(14)21)8-19-12-6-9(20(22)23)4-5-13(12)24-2/h4-8,21H,3H2,1-2H3/b19-8+
InChIKeyBMBDPWYIZASVPN-UFWORHAWSA-N
MW474.11 g/mol
LogP4.98
Rot. Bonds6

About 3,4-dibromo-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol

3,4-dibromo-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol (PubChem CID 4110397) has the molecular formula C16H14Br2N2O5 and a molecular weight of 474.11 g/mol. Its IUPAC name is 3,4-dibromo-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name3,4-dibromo-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
PubChem CID4110397
Molecular FormulaC16H14Br2N2O5
Molecular Weight474.11 g/mol
Exact Mass471.93
IUPAC Name3,4-dibromo-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
SMILESCCOc1cc(Br)c(Br)c(/C=N/c2cc([N+](=O)[O-])ccc2OC)c1O
InChIInChI=1S/C16H14Br2N2O5/c1-3-25-14-7-11(17)15(18)10(16(14)21)8-19-12-6-9(20(22)23)4-5-13(12)24-2/h4-8,21H,3H2,1-2H3/b19-8+
InChIKeyBMBDPWYIZASVPN-UFWORHAWSA-N
XLogP4.98
TPSA94.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.11
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3,4-dibromo-6-methoxy-2-[2-(4-nitroanilino)ethyliminomethyl]phenol
CID 4230585
3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol
CID 5024698
4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 693735
3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol
CID 4630823
2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
3,4-dibromo-2-[[2-bromo-5-(trifluoromethyl)phenyl]iminomethyl]-6-ethoxyphenol
CID 135588655
2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol
CID 4305611
N-[(Z)-(2-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 6081943
3,4-dibromo-2-[(2-hydroxy-3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol
CID 1379409
2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol
CID 135963051
3-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxy-N,N-dimethylbenzenesulfonamide
CID 135595872
N-[(Z)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135891670

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol?
The IUPAC name of 3,4-dibromo-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol (CID 4110397) is 3,4-dibromo-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol.
What is the SMILES notation for 3,4-dibromo-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol?
The canonical SMILES for 3,4-dibromo-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol is CCOc1cc(Br)c(Br)c(/C=N/c2cc([N+](=O)[O-])ccc2OC)c1O.
What is the InChIKey of 3,4-dibromo-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol?
The InChIKey is BMBDPWYIZASVPN-UFWORHAWSA-N. The full InChI is InChI=1S/C16H14Br2N2O5/c1-3-25-14-7-11(17)15(18)10(16(14)21)8-19-12-6-9(20(22)23)4-5-13(12)24-2/h4-8,21H,3H2,1-2H3/b19-8+.
What are the key properties of 3,4-dibromo-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol?
3,4-dibromo-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol has a molecular weight of 474.11 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol is sourced from PubChem (CID 4110397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).