2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-ol

C15H12O5S — CID 117183061

IUPAC2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-ol
SMILESO=S1(=O)C(COc2ccc(O)cc2)=Cc2cccc(O)c21
InChIInChI=1S/C15H12O5S/c16-11-4-6-12(7-5-11)20-9-13-8-10-2-1-3-14(17)15(10)21(13,18)19/h1-8,16-17H,9H2
InChIKeyJUEUVUADYLIFGH-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.31
Rot. Bonds3

About 2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-ol

2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-ol (PubChem CID 117183061) has the molecular formula C15H12O5S and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-ol.

Molecular Properties

Compound Name2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-ol
PubChem CID117183061
Molecular FormulaC15H12O5S
Molecular Weight304.32 g/mol
Exact Mass304.04
IUPAC Name2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-ol
SMILESO=S1(=O)C(COc2ccc(O)cc2)=Cc2cccc(O)c21
InChIInChI=1S/C15H12O5S/c16-11-4-6-12(7-5-11)20-9-13-8-10-2-1-3-14(17)15(10)21(13,18)19/h1-8,16-17H,9H2
InChIKeyJUEUVUADYLIFGH-UHFFFAOYSA-N
XLogP2.31
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-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

1,1-dioxo-2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-ol
CID 117183065
2-[(4-methylphenoxy)methyl]-1,1-dioxo-1-benzothiophen-6-ol
CID 117179595
2-[(4-fluorophenoxy)methyl]-1,1-dioxo-1-benzothiophen-4-ol
CID 117172610
7-chloro-2-(ethoxymethyl)-1-benzothiophene 1,1-dioxide
CID 117183095
5-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117176178
2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol
CID 117197036
1,1-dioxo-2-(phenoxymethyl)-1-benzothiophen-6-amine
CID 117179568
2-[(6-amino-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol
CID 117179578
2-(7-hydroxy-1,1-dioxo-1-benzothiophen-2-yl)-2-methylpropanoic acid
CID 117197066
4-[(7,7-dioxo-7λ6-thiabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)oxy]phenol
CID 141005878
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
3-(7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)propanoic acid
CID 117196795

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-ol?
The IUPAC name of 2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-ol (CID 117183061) is 2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-ol.
What is the SMILES notation for 2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-ol?
The canonical SMILES for 2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-ol is O=S1(=O)C(COc2ccc(O)cc2)=Cc2cccc(O)c21.
What is the InChIKey of 2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-ol?
The InChIKey is JUEUVUADYLIFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5S/c16-11-4-6-12(7-5-11)20-9-13-8-10-2-1-3-14(17)15(10)21(13,18)19/h1-8,16-17H,9H2.
What are the key properties of 2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-ol?
2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-ol has a molecular weight of 304.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-ol is sourced from PubChem (CID 117183061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).