3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol

C15H11ClO2S — CID 117181536

IUPAC3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol
SMILESOc1cccc2c(COc3cccc(Cl)c3)csc12
InChIInChI=1S/C15H11ClO2S/c16-11-3-1-4-12(7-11)18-8-10-9-19-15-13(10)5-2-6-14(15)17/h1-7,9,17H,8H2
InChIKeyYBZIVJYDNBFTMS-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.84
Rot. Bonds3

About 3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol

3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol (PubChem CID 117181536) has the molecular formula C15H11ClO2S and a molecular weight of 290.77 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol.

Molecular Properties

Compound Name3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol
PubChem CID117181536
Molecular FormulaC15H11ClO2S
Molecular Weight290.77 g/mol
Exact Mass290.02
IUPAC Name3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol
SMILESOc1cccc2c(COc3cccc(Cl)c3)csc12
InChIInChI=1S/C15H11ClO2S/c16-11-3-1-4-12(7-11)18-8-10-9-19-15-13(10)5-2-6-14(15)17/h1-7,9,17H,8H2
InChIKeyYBZIVJYDNBFTMS-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-7-ol
CID 117181555
3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene
CID 117181558
4-bromo-2-[(3-chlorophenoxy)methyl]thiophene
CID 63456534
2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene
CID 60975597
3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol
CID 117174734
[3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117180951
4-[(3-chlorophenoxy)methyl]-1,2-thiazole-5-carboxylic acid
CID 117216468
4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene
CID 64764179
3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol
CID 117174755
3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol
CID 117175592
3-[(3-chlorophenoxy)methyl]-1H-indole-7-carboxylic acid
CID 117182144

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol?
The IUPAC name of 3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol (CID 117181536) is 3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol.
What is the SMILES notation for 3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol?
The canonical SMILES for 3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol is Oc1cccc2c(COc3cccc(Cl)c3)csc12.
What is the InChIKey of 3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol?
The InChIKey is YBZIVJYDNBFTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2S/c16-11-3-1-4-12(7-11)18-8-10-9-19-15-13(10)5-2-6-14(15)17/h1-7,9,17H,8H2.
What are the key properties of 3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol?
3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-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-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol is sourced from PubChem (CID 117181536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).