4-(2-Amino-4-phenoxymethyl-phenylsulfanyl)-phenol

HCID 68460210

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1cc(COc2ccccc2)ccc1Sc1ccc(O)cc1
InChIKey: CRUINQDWONDYAV-UHFFFAOYSA-N
Molecular formula: C19H17NO2S
Average molar mass: 323.4 g/mol

Names & identifiers

Preferred name: 4-(2-Amino-4-phenoxymethyl-phenylsulfanyl)-phenol
IUPAC: 4-[2-amino-4-(phenoxymethyl)phenyl]sulfanylphenol

Names & synonyms

SCHEMBL2967083CRUINQDWONDYAV-UHFFFAOYSA-N4-(2-Amino-4-phenoxymethyl-phenylsulfanyl)-phenol

Database identifiers

PubChem CID: 68460210

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 80.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 340

Related reactions

7 records

New reaction record

HRID 91648As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 100657As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 111459As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 2197985As reactantuspto-grants-2012_12

HRID 2197986As reactantuspto-grants-2012_12

HRID 2358820As reactantuspto-grants-2010_07

HRID 2358821As reactantuspto-grants-2010_07

Compound notes

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