{2-[(4-Chloro-3-methoxyphenyl)sulfanyl]-4-methoxyphenyl}methanol

HCID 12374912

Notes Reactions

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Basic information

CAS: 61150-71-8
Standard SMILES: COc1ccc(CO)c(Sc2ccc(Cl)c(OC)c2)c1
InChIKey: KIQHVWPFPCKLDD-UHFFFAOYSA-N
Molecular formula: C15H15ClO3S
Average molar mass: 310.8 g/mol
Monoisotopic mass: 310.0430432

Names & identifiers

Preferred name: {2-[(4-Chloro-3-methoxyphenyl)sulfanyl]-4-methoxyphenyl}methanol
IUPAC: [2-(4-chloro-3-methoxyphenyl)sulfanyl-4-methoxyphenyl]methanol

Names & synonyms

61150-71-8SCHEMBL11481396DTXSID60495039KIQHVWPFPCKLDD-UHFFFAOYSA-N{2-[(4-Chloro-3-methoxyphenyl)sulfanyl]-4-methoxyphenyl}methanol2-(4-chloro-3-methoxyphenylthio)-4-methoxybenzyl alcohol

Database identifiers

CAS: 61150-71-8
PubChem CID: 12374912
DTXSID: DTXSID60495039

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 64 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 292

Related reactions

1 records

New reaction record

HRID 1732778As reactantuspto-grants-1980_12

Compound notes

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