1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol

C18H15ClN2O — CID 3502154

IUPAC1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESCc1ccc(NN=Cc2c(O)ccc3ccccc23)cc1Cl
InChIInChI=1S/C18H15ClN2O/c1-12-6-8-14(10-17(12)19)21-20-11-16-15-5-3-2-4-13(15)7-9-18(16)22/h2-11,21-22H,1H3
InChIKeyVDIFEMOKLMDPIL-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.95
Rot. Bonds3

About 1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol

1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 3502154) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID3502154
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESCc1ccc(NN=Cc2c(O)ccc3ccccc23)cc1Cl
InChIInChI=1S/C18H15ClN2O/c1-12-6-8-14(10-17(12)19)21-20-11-16-15-5-3-2-4-13(15)7-9-18(16)22/h2-11,21-22H,1H3
InChIKeyVDIFEMOKLMDPIL-UHFFFAOYSA-N
XLogP4.95
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.95
H-Bond Donors ≤ 52
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

3-chloro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
CID 137122870
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 3407751
4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135676115
3-chloro-N-[(E)-(1-ethylindol-3-yl)methylideneamino]-4-methylaniline
CID 110506575
N-(3,4-dimethylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135614936
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide
CID 8901141
1-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]naphthalen-2-ol
CID 135614773
1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]naphthalen-2-ol
CID 4026008
3-chloro-4-methyl-N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]aniline
CID 6108853
1-[(Z)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 136767772
2-[2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135454039

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol (CID 3502154) is 1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol is Cc1ccc(NN=Cc2c(O)ccc3ccccc23)cc1Cl.
What is the InChIKey of 1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is VDIFEMOKLMDPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c1-12-6-8-14(10-17(12)19)21-20-11-16-15-5-3-2-4-13(15)7-9-18(16)22/h2-11,21-22H,1H3.
What are the key properties of 1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol?
1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 310.78 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 3502154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).