3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol

C15H11ClO2S — CID 117170889

IUPAC3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol
SMILESOc1cccc2scc(COc3ccccc3Cl)c12
InChIInChI=1S/C15H11ClO2S/c16-11-4-1-2-6-13(11)18-8-10-9-19-14-7-3-5-12(17)15(10)14/h1-7,9,17H,8H2
InChIKeyIQDNPMCFHTVRHU-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.84
Rot. Bonds3

About 3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol

3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol (PubChem CID 117170889) has the molecular formula C15H11ClO2S and a molecular weight of 290.77 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol
PubChem CID117170889
Molecular FormulaC15H11ClO2S
Molecular Weight290.77 g/mol
Exact Mass290.02
IUPAC Name3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol
SMILESOc1cccc2scc(COc3ccccc3Cl)c12
InChIInChI=1S/C15H11ClO2S/c16-11-4-1-2-6-13(11)18-8-10-9-19-14-7-3-5-12(17)15(10)14/h1-7,9,17H,8H2
InChIKeyIQDNPMCFHTVRHU-UHFFFAOYSA-N
XLogP4.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenoxy)methyl]-1-benzothiophen-4-ol
CID 117170911
3-[(4-fluorophenoxy)methyl]-1-benzothiophen-4-ol
CID 117170932
3-[(2-chlorophenoxy)methyl]-1-benzothiophen-6-amine
CID 117178087
3-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-1-benzothiophene
CID 114320887
5-chloro-2-[(2-chlorophenoxy)methyl]phenol
CID 117221050
4-fluoro-3-[(2-methylphenoxy)methyl]-1-benzothiophene
CID 117170884
3-[(2-chlorophenoxy)methyl]-1-benzothiophen-7-amine
CID 117181514
[3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine
CID 117170781
4-chloro-3-(ethoxymethyl)-1-benzothiophene
CID 117170982
3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol
CID 117181875
3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine
CID 117170950
3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol
CID 117174722

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol (CID 117170889) is 3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol is Oc1cccc2scc(COc3ccccc3Cl)c12.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol?
The InChIKey is IQDNPMCFHTVRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2S/c16-11-4-1-2-6-13(11)18-8-10-9-19-14-7-3-5-12(17)15(10)14/h1-7,9,17H,8H2.
What are the key properties of 3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol?
3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol has a molecular weight of 290.77 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol is sourced from PubChem (CID 117170889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).