2-(2-hydroxyphenyl)-4-methyl-1,3-oxathiolan-5-one

C10H10O3S — CID 139899543

IUPAC2-(2-hydroxyphenyl)-4-methyl-1,3-oxathiolan-5-one
SMILESCC1SC(c2ccccc2O)OC1=O
InChIInChI=1S/C10H10O3S/c1-6-9(12)13-10(14-6)7-4-2-3-5-8(7)11/h2-6,10-11H,1H3
InChIKeyFRHZHIJEVKZBAY-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.07
Rot. Bonds1

About 2-(2-hydroxyphenyl)-4-methyl-1,3-oxathiolan-5-one

2-(2-hydroxyphenyl)-4-methyl-1,3-oxathiolan-5-one (PubChem CID 139899543) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-4-methyl-1,3-oxathiolan-5-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-4-methyl-1,3-oxathiolan-5-one
PubChem CID139899543
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Name2-(2-hydroxyphenyl)-4-methyl-1,3-oxathiolan-5-one
SMILESCC1SC(c2ccccc2O)OC1=O
InChIInChI=1S/C10H10O3S/c1-6-9(12)13-10(14-6)7-4-2-3-5-8(7)11/h2-6,10-11H,1H3
InChIKeyFRHZHIJEVKZBAY-UHFFFAOYSA-N
XLogP2.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-4-methyl-1,3-oxathiolan-5-one
CID 139899567
4-methyl-2-phenyl-1,3-oxathiolan-5-one
CID 12581976
2-(dioxiran-3-yl)phenol
CID 87283547
2-(2-hydroxyphenyl)cyclobutan-1-one
CID 14245733
2-(5-methyl-1,3-dioxan-2-yl)phenol
CID 45117153
2,5-bis(2-hydroxyphenyl)cyclopentan-1-one
CID 18760303
(2S,3S,5S,6R)-2,6-bis(2-hydroxyphenyl)-3,5-dimethylpiperidin-4-one
CID 6581730
(3R)-7-hydroxy-3-methyl-3H-1-benzofuran-2-one
CID 124584192
2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol
CID 174602517
2-[3-(2-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol
CID 752691
2-[(1S,2R)-2-methylcyclopropyl]phenol
CID 176896077
3-(2-hydroxyphenyl)piperidine-2,6-dione
CID 171127243

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-4-methyl-1,3-oxathiolan-5-one?
The IUPAC name of 2-(2-hydroxyphenyl)-4-methyl-1,3-oxathiolan-5-one (CID 139899543) is 2-(2-hydroxyphenyl)-4-methyl-1,3-oxathiolan-5-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-4-methyl-1,3-oxathiolan-5-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-4-methyl-1,3-oxathiolan-5-one is CC1SC(c2ccccc2O)OC1=O.
What is the InChIKey of 2-(2-hydroxyphenyl)-4-methyl-1,3-oxathiolan-5-one?
The InChIKey is FRHZHIJEVKZBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S/c1-6-9(12)13-10(14-6)7-4-2-3-5-8(7)11/h2-6,10-11H,1H3.
What are the key properties of 2-(2-hydroxyphenyl)-4-methyl-1,3-oxathiolan-5-one?
2-(2-hydroxyphenyl)-4-methyl-1,3-oxathiolan-5-one has a molecular weight of 210.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-4-methyl-1,3-oxathiolan-5-one is sourced from PubChem (CID 139899543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).