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

HCID 18782876
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Basic information

Standard SMILES
COc1cccc(Sc2ccc3c(c2)C=C(C)C(C)(C)O3)c1
InChIKey
FXVKNECAVLNKMW-UHFFFAOYSA-N
Molecular formula
C19H20O2S
Average molar mass
312.4 g/mol

Names & identifiers

Preferred name
6-(3-methoxyphenyl)thio-2,2,3-trimethyl-2H-benzo[b]pyran
IUPAC
6-(3-methoxyphenyl)sulfanyl-2,2,3-trimethylchromene

Names & synonyms

SCHEMBL8151279FXVKNECAVLNKMW-UHFFFAOYSA-N6-(3-methoxyphenyl)thio-2,2,3-trimethyl-2H-benzo[b]pyran

Database identifiers

PubChem CID
18782876
Nikkaji
J2.538.600K

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
43.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
22

Related reactions

7 records
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Linked notes

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