3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol

C15H12O3S — CID 117174722

IUPAC3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol
SMILESOc1ccc2scc(COc3ccccc3O)c2c1
InChIInChI=1S/C15H12O3S/c16-11-5-6-15-12(7-11)10(9-19-15)8-18-14-4-2-1-3-13(14)17/h1-7,9,16-17H,8H2
InChIKeyBDAHKTGIRMDBQN-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.89
Rot. Bonds3

About 3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol

3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol (PubChem CID 117174722) has the molecular formula C15H12O3S and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol.

Molecular Properties

Compound Name3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol
PubChem CID117174722
Molecular FormulaC15H12O3S
Molecular Weight272.32 g/mol
Exact Mass272.05
IUPAC Name3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol
SMILESOc1ccc2scc(COc3ccccc3O)c2c1
InChIInChI=1S/C15H12O3S/c16-11-5-6-15-12(7-11)10(9-19-15)8-18-14-4-2-1-3-13(14)17/h1-7,9,16-17H,8H2
InChIKeyBDAHKTGIRMDBQN-UHFFFAOYSA-N
XLogP3.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol
CID 117174755
3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol
CID 117174734
3-[(2-fluorophenoxy)methyl]-1-benzothiophen-5-amine
CID 117174712
5-fluoro-3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
CID 117174725
3-(aminomethyl)-1-benzothiophen-5-ol
CID 117120749
2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol
CID 117181525
2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid
CID 27808
3-[(2-hydroxyphenoxy)methyl]-1H-indol-5-ol
CID 117175071
3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol
CID 117219510
3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
CID 117170894
2-(1-benzothiophen-3-ylmethoxy)benzenecarbothioamide
CID 63744852
3-[(2-chlorophenoxy)methyl]-1-benzothiophen-6-amine
CID 117178087

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol?
The IUPAC name of 3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol (CID 117174722) is 3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol.
What is the SMILES notation for 3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol?
The canonical SMILES for 3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol is Oc1ccc2scc(COc3ccccc3O)c2c1.
What is the InChIKey of 3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol?
The InChIKey is BDAHKTGIRMDBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3S/c16-11-5-6-15-12(7-11)10(9-19-15)8-18-14-4-2-1-3-13(14)17/h1-7,9,16-17H,8H2.
What are the key properties of 3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol?
3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol has a molecular weight of 272.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol is sourced from PubChem (CID 117174722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).