2,4-dichloro-6-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol

C17H14Cl2N2O — CID 135448473

IUPAC2,4-dichloro-6-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol
SMILESCC1C/C(=N\N=C\c2cc(Cl)cc(Cl)c2O)c2ccccc21
InChIInChI=1S/C17H14Cl2N2O/c1-10-6-16(14-5-3-2-4-13(10)14)21-20-9-11-7-12(18)8-15(19)17(11)22/h2-5,7-10,22H,6H2,1H3/b20-9+,21-16+
InChIKeyDEIJNYLNSAXKKD-KTOXEOKQSA-N
MW333.22 g/mol
LogP5.03
Rot. Bonds2

About 2,4-dichloro-6-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol

2,4-dichloro-6-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol (PubChem CID 135448473) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol
PubChem CID135448473
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name2,4-dichloro-6-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol
SMILESCC1C/C(=N\N=C\c2cc(Cl)cc(Cl)c2O)c2ccccc21
InChIInChI=1S/C17H14Cl2N2O/c1-10-6-16(14-5-3-2-4-13(10)14)21-20-9-11-7-12(18)8-15(19)17(11)22/h2-5,7-10,22H,6H2,1H3/b20-9+,21-16+
InChIKeyDEIJNYLNSAXKKD-KTOXEOKQSA-N
XLogP5.03
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.22
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol (CID 135448473) is 2,4-dichloro-6-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol is CC1C/C(=N\N=C\c2cc(Cl)cc(Cl)c2O)c2ccccc21.
What is the InChIKey of 2,4-dichloro-6-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol?
The InChIKey is DEIJNYLNSAXKKD-KTOXEOKQSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c1-10-6-16(14-5-3-2-4-13(10)14)21-20-9-11-7-12(18)8-15(19)17(11)22/h2-5,7-10,22H,6H2,1H3/b20-9+,21-16+.
What are the key properties of 2,4-dichloro-6-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol?
2,4-dichloro-6-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol has a molecular weight of 333.22 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135448473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).