5-methoxy-3-methylsulfanyl-9H-xanthene

C15H14O2S — CID 23460520

IUPAC5-methoxy-3-methylsulfanyl-9H-xanthene
SMILESCOc1cccc2c1Oc1cc(SC)ccc1C2
InChIInChI=1S/C15H14O2S/c1-16-13-5-3-4-11-8-10-6-7-12(18-2)9-14(10)17-15(11)13/h3-7,9H,8H2,1-2H3
InChIKeyRUCFZEQQCRVFCS-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.11
Rot. Bonds2

About 5-methoxy-3-methylsulfanyl-9H-xanthene

5-methoxy-3-methylsulfanyl-9H-xanthene (PubChem CID 23460520) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 5-methoxy-3-methylsulfanyl-9H-xanthene.

Molecular Properties

Compound Name5-methoxy-3-methylsulfanyl-9H-xanthene
PubChem CID23460520
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name5-methoxy-3-methylsulfanyl-9H-xanthene
SMILESCOc1cccc2c1Oc1cc(SC)ccc1C2
InChIInChI=1S/C15H14O2S/c1-16-13-5-3-4-11-8-10-6-7-12(18-2)9-14(10)17-15(11)13/h3-7,9H,8H2,1-2H3
InChIKeyRUCFZEQQCRVFCS-UHFFFAOYSA-N
XLogP4.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methylsulfanyl-9H-xanthene?
The IUPAC name of 5-methoxy-3-methylsulfanyl-9H-xanthene (CID 23460520) is 5-methoxy-3-methylsulfanyl-9H-xanthene.
What is the SMILES notation for 5-methoxy-3-methylsulfanyl-9H-xanthene?
The canonical SMILES for 5-methoxy-3-methylsulfanyl-9H-xanthene is COc1cccc2c1Oc1cc(SC)ccc1C2.
What is the InChIKey of 5-methoxy-3-methylsulfanyl-9H-xanthene?
The InChIKey is RUCFZEQQCRVFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-16-13-5-3-4-11-8-10-6-7-12(18-2)9-14(10)17-15(11)13/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-methoxy-3-methylsulfanyl-9H-xanthene?
5-methoxy-3-methylsulfanyl-9H-xanthene has a molecular weight of 258.34 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methylsulfanyl-9H-xanthene is sourced from PubChem (CID 23460520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).