2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol

C17H16Cl2N2O4 — CID 2796783

IUPAC2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol
SMILESCOc1cc(C=NN=Cc2cc(Cl)cc(Cl)c2O)cc(OC)c1OC
InChIInChI=1S/C17H16Cl2N2O4/c1-23-14-4-10(5-15(24-2)17(14)25-3)8-20-21-9-11-6-12(18)7-13(19)16(11)22/h4-9,22H,1-3H3
InChIKeyOSZIWTPSBXKEKY-UHFFFAOYSA-N
MW383.23 g/mol
LogP4.18
Rot. Bonds6

About 2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol

2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol (PubChem CID 2796783) has the molecular formula C17H16Cl2N2O4 and a molecular weight of 383.23 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol
PubChem CID2796783
Molecular FormulaC17H16Cl2N2O4
Molecular Weight383.23 g/mol
Exact Mass382.05
IUPAC Name2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol
SMILESCOc1cc(C=NN=Cc2cc(Cl)cc(Cl)c2O)cc(OC)c1OC
InChIInChI=1S/C17H16Cl2N2O4/c1-23-14-4-10(5-15(24-2)17(14)25-3)8-20-21-9-11-6-12(18)7-13(19)16(11)22/h4-9,22H,1-3H3
InChIKeyOSZIWTPSBXKEKY-UHFFFAOYSA-N
XLogP4.18
TPSA72.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol (CID 2796783) is 2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol is COc1cc(C=NN=Cc2cc(Cl)cc(Cl)c2O)cc(OC)c1OC.
What is the InChIKey of 2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The InChIKey is OSZIWTPSBXKEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4/c1-23-14-4-10(5-15(24-2)17(14)25-3)8-20-21-9-11-6-12(18)7-13(19)16(11)22/h4-9,22H,1-3H3.
What are the key properties of 2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol?
2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol has a molecular weight of 383.23 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol is sourced from PubChem (CID 2796783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).