2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol

C16H16ClNO2S — CID 135847622

IUPAC2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CCSc2ccc(Cl)cc2)c1O
InChIInChI=1S/C16H16ClNO2S/c1-20-15-4-2-3-12(16(15)19)11-18-9-10-21-14-7-5-13(17)6-8-14/h2-8,11,19H,9-10H2,1H3/b18-11+
InChIKeyQQLOZSMWNXCTDT-WOJGMQOQSA-N
MW321.83 g/mol
LogP4.27
Rot. Bonds6

About 2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol

2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol (PubChem CID 135847622) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol
PubChem CID135847622
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CCSc2ccc(Cl)cc2)c1O
InChIInChI=1S/C16H16ClNO2S/c1-20-15-4-2-3-12(16(15)19)11-18-9-10-21-14-7-5-13(17)6-8-14/h2-8,11,19H,9-10H2,1H3/b18-11+
InChIKeyQQLOZSMWNXCTDT-WOJGMQOQSA-N
XLogP4.27
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol
CID 135817980
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol
CID 135757817
2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1153906
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884
2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol
CID 136908274
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol
CID 135855450
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-methoxy-6-(2-morpholin-4-ylethyliminomethyl)phenol
CID 4072556

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol (CID 135847622) is 2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol is COc1cccc(/C=N/CCSc2ccc(Cl)cc2)c1O.
What is the InChIKey of 2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol?
The InChIKey is QQLOZSMWNXCTDT-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-20-15-4-2-3-12(16(15)19)11-18-9-10-21-14-7-5-13(17)6-8-14/h2-8,11,19H,9-10H2,1H3/b18-11+.
What are the key properties of 2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol?
2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol has a molecular weight of 321.83 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135847622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).