6-(3-hydroxyphenyl)thio-2,2,3-trimethyl-2H-benzo[b]pyran

HCID 18782864
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Basic information

Standard SMILES
CC1=Cc2cc(Sc3cccc(O)c3)ccc2OC1(C)C
InChIKey
UJPNEASSCSTJKL-UHFFFAOYSA-N
Molecular formula
C18H18O2S
Average molar mass
298.4 g/mol
Monoisotopic mass
298.10275099

Names & identifiers

Preferred name
6-(3-hydroxyphenyl)thio-2,2,3-trimethyl-2H-benzo[b]pyran
IUPAC
3-(2,2,3-trimethylchromen-6-yl)sulfanylphenol

Names & synonyms

SCHEMBL8148899UJPNEASSCSTJKL-UHFFFAOYSA-N6-(3-hydroxyphenyl)thio-2,2,3-trimethyl-2H-benzo[b]pyran

Database identifiers

PubChem CID
18782864

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
54.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
21

Related reactions

5 records
New reaction record

Linked notes

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