4-[(6-chloro-1-benzothiophen-2-yl)methoxy]phenol

C15H11ClO2S — CID 117179841

IUPAC4-[(6-chloro-1-benzothiophen-2-yl)methoxy]phenol
SMILESOc1ccc(OCc2cc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C15H11ClO2S/c16-11-2-1-10-7-14(19-15(10)8-11)9-18-13-5-3-12(17)4-6-13/h1-8,17H,9H2
InChIKeyIJYCYTOCVTVUMX-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.84
Rot. Bonds3

About 4-[(6-chloro-1-benzothiophen-2-yl)methoxy]phenol

4-[(6-chloro-1-benzothiophen-2-yl)methoxy]phenol (PubChem CID 117179841) has the molecular formula C15H11ClO2S and a molecular weight of 290.77 g/mol. Its IUPAC name is 4-[(6-chloro-1-benzothiophen-2-yl)methoxy]phenol.

Molecular Properties

Compound Name4-[(6-chloro-1-benzothiophen-2-yl)methoxy]phenol
PubChem CID117179841
Molecular FormulaC15H11ClO2S
Molecular Weight290.77 g/mol
Exact Mass290.02
IUPAC Name4-[(6-chloro-1-benzothiophen-2-yl)methoxy]phenol
SMILESOc1ccc(OCc2cc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C15H11ClO2S/c16-11-2-1-10-7-14(19-15(10)8-11)9-18-13-5-3-12(17)4-6-13/h1-8,17H,9H2
InChIKeyIJYCYTOCVTVUMX-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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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-1-benzothiophen-2-yl)methoxy]phenol?
The IUPAC name of 4-[(6-chloro-1-benzothiophen-2-yl)methoxy]phenol (CID 117179841) is 4-[(6-chloro-1-benzothiophen-2-yl)methoxy]phenol.
What is the SMILES notation for 4-[(6-chloro-1-benzothiophen-2-yl)methoxy]phenol?
The canonical SMILES for 4-[(6-chloro-1-benzothiophen-2-yl)methoxy]phenol is Oc1ccc(OCc2cc3ccc(Cl)cc3s2)cc1.
What is the InChIKey of 4-[(6-chloro-1-benzothiophen-2-yl)methoxy]phenol?
The InChIKey is IJYCYTOCVTVUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2S/c16-11-2-1-10-7-14(19-15(10)8-11)9-18-13-5-3-12(17)4-6-13/h1-8,17H,9H2.
What are the key properties of 4-[(6-chloro-1-benzothiophen-2-yl)methoxy]phenol?
4-[(6-chloro-1-benzothiophen-2-yl)methoxy]phenol 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 4-[(6-chloro-1-benzothiophen-2-yl)methoxy]phenol is sourced from PubChem (CID 117179841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).