5-(4-methylsulfanylphenyl)-2-[(2-phenylhydrazinyl)methyl]phenol

C20H20N2OS — CID 169385575

IUPAC5-(4-methylsulfanylphenyl)-2-[(2-phenylhydrazinyl)methyl]phenol
SMILESCSc1ccc(-c2ccc(CNNc3ccccc3)c(O)c2)cc1
InChIInChI=1S/C20H20N2OS/c1-24-19-11-9-15(10-12-19)16-7-8-17(20(23)13-16)14-21-22-18-5-3-2-4-6-18/h2-13,21-23H,14H2,1H3
InChIKeyKZUVATKEWQBJNE-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.90
Rot. Bonds6

About 5-(4-methylsulfanylphenyl)-2-[(2-phenylhydrazinyl)methyl]phenol

5-(4-methylsulfanylphenyl)-2-[(2-phenylhydrazinyl)methyl]phenol (PubChem CID 169385575) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 5-(4-methylsulfanylphenyl)-2-[(2-phenylhydrazinyl)methyl]phenol.

Molecular Properties

Compound Name5-(4-methylsulfanylphenyl)-2-[(2-phenylhydrazinyl)methyl]phenol
PubChem CID169385575
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name5-(4-methylsulfanylphenyl)-2-[(2-phenylhydrazinyl)methyl]phenol
SMILESCSc1ccc(-c2ccc(CNNc3ccccc3)c(O)c2)cc1
InChIInChI=1S/C20H20N2OS/c1-24-19-11-9-15(10-12-19)16-7-8-17(20(23)13-16)14-21-22-18-5-3-2-4-6-18/h2-13,21-23H,14H2,1H3
InChIKeyKZUVATKEWQBJNE-UHFFFAOYSA-N
XLogP4.90
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169387199
3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol
CID 169384433
2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169385241
1-[(2,4-dimethylphenyl)methyl]-2-phenylhydrazine
CID 169384445
4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol
CID 169386178
1-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-phenylhydrazine
CID 169385350
[3-[4-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]methanol
CID 169385400
1-[(5-fluoro-2-methylphenyl)methyl]-2-phenylhydrazine
CID 169384413
1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine
CID 169385478
2-[(methoxyamino)methyl]-5-methylsulfanylphenol
CID 117288786
1-[[4-(3,4-dichlorophenyl)phenyl]methyl]-2-phenylhydrazine
CID 169386868
3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol
CID 169385182

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfanylphenyl)-2-[(2-phenylhydrazinyl)methyl]phenol?
The IUPAC name of 5-(4-methylsulfanylphenyl)-2-[(2-phenylhydrazinyl)methyl]phenol (CID 169385575) is 5-(4-methylsulfanylphenyl)-2-[(2-phenylhydrazinyl)methyl]phenol.
What is the SMILES notation for 5-(4-methylsulfanylphenyl)-2-[(2-phenylhydrazinyl)methyl]phenol?
The canonical SMILES for 5-(4-methylsulfanylphenyl)-2-[(2-phenylhydrazinyl)methyl]phenol is CSc1ccc(-c2ccc(CNNc3ccccc3)c(O)c2)cc1.
What is the InChIKey of 5-(4-methylsulfanylphenyl)-2-[(2-phenylhydrazinyl)methyl]phenol?
The InChIKey is KZUVATKEWQBJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-24-19-11-9-15(10-12-19)16-7-8-17(20(23)13-16)14-21-22-18-5-3-2-4-6-18/h2-13,21-23H,14H2,1H3.
What are the key properties of 5-(4-methylsulfanylphenyl)-2-[(2-phenylhydrazinyl)methyl]phenol?
5-(4-methylsulfanylphenyl)-2-[(2-phenylhydrazinyl)methyl]phenol has a molecular weight of 336.46 g/mol, XLogP of 4.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfanylphenyl)-2-[(2-phenylhydrazinyl)methyl]phenol is sourced from PubChem (CID 169385575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).