3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol

C15H11ClO2S — CID 117174755

IUPAC3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol
SMILESOc1ccc2scc(COc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C15H11ClO2S/c16-11-1-4-13(5-2-11)18-8-10-9-19-15-6-3-12(17)7-14(10)15/h1-7,9,17H,8H2
InChIKeyHUGVBOMPZULILX-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.84
Rot. Bonds3

About 3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol

3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol (PubChem CID 117174755) has the molecular formula C15H11ClO2S and a molecular weight of 290.77 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol
PubChem CID117174755
Molecular FormulaC15H11ClO2S
Molecular Weight290.77 g/mol
Exact Mass290.02
IUPAC Name3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol
SMILESOc1ccc2scc(COc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C15H11ClO2S/c16-11-1-4-13(5-2-11)18-8-10-9-19-15-6-3-12(17)7-14(10)15/h1-7,9,17H,8H2
InChIKeyHUGVBOMPZULILX-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-[(4-chlorophenoxy)methyl]-5-methyl-1-benzothiophene
CID 117185073
3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol
CID 117174734
3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol
CID 117174722
3-(aminomethyl)-1-benzothiophen-5-ol
CID 117120749
3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene
CID 117181558
(5-chloro-1-benzothiophen-3-yl)methanol
CID 2776136
3-chloro-4-[(4-hydroxyphenoxy)methyl]phenol
CID 117219716
4-(1-benzothiophen-3-ylmethoxy)-2-chloroaniline
CID 55230322
2-(1-benzothiophen-3-ylmethoxy)-4-chlorobenzoic acid
CID 63744829
3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine
CID 117178145
2-(1-benzothiophen-3-ylmethoxy)-4-chlorobenzenecarbothioamide
CID 114323220
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol (CID 117174755) is 3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol is Oc1ccc2scc(COc3ccc(Cl)cc3)c2c1.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol?
The InChIKey is HUGVBOMPZULILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2S/c16-11-1-4-13(5-2-11)18-8-10-9-19-15-6-3-12(17)7-14(10)15/h1-7,9,17H,8H2.
What are the key properties of 3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol?
3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-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-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol is sourced from PubChem (CID 117174755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).