2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol

C12H16O4S — CID 117201306

IUPAC2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol
SMILESCOc1ccc2c(c1)CC(C(C)(C)O)S2(=O)=O
InChIInChI=1S/C12H16O4S/c1-12(2,13)11-7-8-6-9(16-3)4-5-10(8)17(11,14)15/h4-6,11,13H,7H2,1-3H3
InChIKeyMPQYRJCIUQMZOM-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.16
Rot. Bonds2

About 2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol

2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol (PubChem CID 117201306) has the molecular formula C12H16O4S and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol
PubChem CID117201306
Molecular FormulaC12H16O4S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Name2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol
SMILESCOc1ccc2c(c1)CC(C(C)(C)O)S2(=O)=O
InChIInChI=1S/C12H16O4S/c1-12(2,13)11-7-8-6-9(16-3)4-5-10(8)17(11,14)15/h4-6,11,13H,7H2,1-3H3
InChIKeyMPQYRJCIUQMZOM-UHFFFAOYSA-N
XLogP1.16
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol
CID 117202370
1-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-amine
CID 117201327
2-(5-methoxy-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol
CID 117201358
1-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-2-methylpropan-2-ol
CID 117202372
4-methoxy-7λ6-thiabicyclo[4.2.0]octa-1(6),2,4-triene 7,7-dioxide
CID 70427650
2-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indene
CID 134338473
2-ethyl-6-methoxy-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84630075
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 22182075
methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 22882753
1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol
CID 97326402
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol?
The IUPAC name of 2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol (CID 117201306) is 2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol.
What is the SMILES notation for 2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol?
The canonical SMILES for 2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol is COc1ccc2c(c1)CC(C(C)(C)O)S2(=O)=O.
What is the InChIKey of 2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol?
The InChIKey is MPQYRJCIUQMZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4S/c1-12(2,13)11-7-8-6-9(16-3)4-5-10(8)17(11,14)15/h4-6,11,13H,7H2,1-3H3.
What are the key properties of 2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol?
2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol has a molecular weight of 256.32 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol is sourced from PubChem (CID 117201306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).