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

C17H14Cl2N2O — CID 136662887

IUPAC2,4-dichloro-6-[(Z)-[(Z)-[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]hydrazinylidene]methyl]phenol
SMILESC[C@H]1C/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-/t10-/m0/s1
InChIKeyDEIJNYLNSAXKKD-PYXTYGHESA-N
MW333.22 g/mol
LogP5.03
Rot. Bonds2

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

2,4-dichloro-6-[(Z)-[(Z)-[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]hydrazinylidene]methyl]phenol (PubChem CID 136662887) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 2,4-dichloro-6-[(Z)-[(Z)-[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(Z)-[(Z)-[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]hydrazinylidene]methyl]phenol
PubChem CID136662887
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name2,4-dichloro-6-[(Z)-[(Z)-[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]hydrazinylidene]methyl]phenol
SMILESC[C@H]1C/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-/t10-/m0/s1
InChIKeyDEIJNYLNSAXKKD-PYXTYGHESA-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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Related Compounds

2,4-dichloro-6-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol
CID 135448473
(3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 135577138
2,4-dichloro-6-[(Z)-[(Z)-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]hydrazinylidene]methyl]phenol
CID 136910636
2-[[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride
CID 70619369
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 2265555
2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
CID 135435636
2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 2796783
2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol
CID 135759374
2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 709091

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(Z)-[(Z)-[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(Z)-[(Z)-[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]hydrazinylidene]methyl]phenol (CID 136662887) is 2,4-dichloro-6-[(Z)-[(Z)-[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(Z)-[(Z)-[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(Z)-[(Z)-[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]hydrazinylidene]methyl]phenol is C[C@H]1C/C(=N/N=C\c2cc(Cl)cc(Cl)c2O)c2ccccc21.
What is the InChIKey of 2,4-dichloro-6-[(Z)-[(Z)-[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]hydrazinylidene]methyl]phenol?
The InChIKey is DEIJNYLNSAXKKD-PYXTYGHESA-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-/t10-/m0/s1.
What are the key properties of 2,4-dichloro-6-[(Z)-[(Z)-[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]hydrazinylidene]methyl]phenol?
2,4-dichloro-6-[(Z)-[(Z)-[(3S)-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-[(Z)-[(Z)-[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136662887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).