3-(3-hydroxyphenyl)sulfanyloxolan-2-one

C10H10O3S — CID 104590605

IUPAC3-(3-hydroxyphenyl)sulfanyloxolan-2-one
SMILESO=C1OCCC1Sc1cccc(O)c1
InChIInChI=1S/C10H10O3S/c11-7-2-1-3-8(6-7)14-9-4-5-13-10(9)12/h1-3,6,9,11H,4-5H2
InChIKeyDYNNBPBWZURXNC-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.80
Rot. Bonds2

About 3-(3-hydroxyphenyl)sulfanyloxolan-2-one

3-(3-hydroxyphenyl)sulfanyloxolan-2-one (PubChem CID 104590605) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)sulfanyloxolan-2-one.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)sulfanyloxolan-2-one
PubChem CID104590605
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Name3-(3-hydroxyphenyl)sulfanyloxolan-2-one
SMILESO=C1OCCC1Sc1cccc(O)c1
InChIInChI=1S/C10H10O3S/c11-7-2-1-3-8(6-7)14-9-4-5-13-10(9)12/h1-3,6,9,11H,4-5H2
InChIKeyDYNNBPBWZURXNC-UHFFFAOYSA-N
XLogP1.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)sulfanyloxolan-2-one?
The IUPAC name of 3-(3-hydroxyphenyl)sulfanyloxolan-2-one (CID 104590605) is 3-(3-hydroxyphenyl)sulfanyloxolan-2-one.
What is the SMILES notation for 3-(3-hydroxyphenyl)sulfanyloxolan-2-one?
The canonical SMILES for 3-(3-hydroxyphenyl)sulfanyloxolan-2-one is O=C1OCCC1Sc1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)sulfanyloxolan-2-one?
The InChIKey is DYNNBPBWZURXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S/c11-7-2-1-3-8(6-7)14-9-4-5-13-10(9)12/h1-3,6,9,11H,4-5H2.
What are the key properties of 3-(3-hydroxyphenyl)sulfanyloxolan-2-one?
3-(3-hydroxyphenyl)sulfanyloxolan-2-one has a molecular weight of 210.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)sulfanyloxolan-2-one is sourced from PubChem (CID 104590605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).