3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol

C14H9Br2Cl3N2O2 — CID 3662486

IUPAC3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(Br)c(Br)c(C=NNc2c(Cl)cc(Cl)cc2Cl)c1O
InChIInChI=1S/C14H9Br2Cl3N2O2/c1-23-11-4-8(15)12(16)7(14(11)22)5-20-21-13-9(18)2-6(17)3-10(13)19/h2-5,21-22H,1H3
InChIKeyNNRBPMDUHHEAIK-UHFFFAOYSA-N
MW503.41 g/mol
LogP6.33
Rot. Bonds4

About 3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol

3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol (PubChem CID 3662486) has the molecular formula C14H9Br2Cl3N2O2 and a molecular weight of 503.41 g/mol. Its IUPAC name is 3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
PubChem CID3662486
Molecular FormulaC14H9Br2Cl3N2O2
Molecular Weight503.41 g/mol
Exact Mass499.81
IUPAC Name3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(Br)c(Br)c(C=NNc2c(Cl)cc(Cl)cc2Cl)c1O
InChIInChI=1S/C14H9Br2Cl3N2O2/c1-23-11-4-8(15)12(16)7(14(11)22)5-20-21-13-9(18)2-6(17)3-10(13)19/h2-5,21-22H,1H3
InChIKeyNNRBPMDUHHEAIK-UHFFFAOYSA-N
XLogP6.33
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.41
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 4598161
methyl N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 136747503
2-methoxy-6-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853943
2-methoxy-4-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853833
3,4-dibromo-2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136856983
tert-butyl N-[(E)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 135642273
2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135717168
N-[(E)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 135578539
2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol
CID 171981143
N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 136793261
3,4-dibromo-2-[(2-hydroxy-3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol
CID 1379409
N-[(E)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135578986

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol (CID 3662486) is 3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol is COc1cc(Br)c(Br)c(C=NNc2c(Cl)cc(Cl)cc2Cl)c1O.
What is the InChIKey of 3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is NNRBPMDUHHEAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2Cl3N2O2/c1-23-11-4-8(15)12(16)7(14(11)22)5-20-21-13-9(18)2-6(17)3-10(13)19/h2-5,21-22H,1H3.
What are the key properties of 3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 503.41 g/mol, XLogP of 6.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 3662486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).