1-(4-Methoxyphenyl)-1-(1-(phenylsulfonyl)-1H-indol-2-yl)ethanol

HCID 301342

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Basic information

CAS: 40899-88-5
Standard SMILES: COc1ccc(C(C)(O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1
InChIKey: LMAXZUINPRFWGS-UHFFFAOYSA-N
Molecular formula: C23H21NO4S
Average molar mass: 407.5 g/mol
Monoisotopic mass: 407.11912932

Names & identifiers

Preferred name: 1-(4-Methoxyphenyl)-1-(1-(phenylsulfonyl)-1H-indol-2-yl)ethanol
IUPAC: 1-[1-(benzenesulfonyl)indol-2-yl]-1-(4-methoxyphenyl)ethanol

Names & synonyms

40899-88-51-(4-Methoxyphenyl)-1-(1-(phenylsulfonyl)-1H-indol-2-yl)ethanolNSC177966NSC 1779661-[1-(benzenesulfonyl)indol-2-yl]-1-(4-methoxyphenyl)ethanolNSC-177966DS-008529

Database identifiers

CAS: 40899-88-5
PubChem CID: 301342

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 76.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 648

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