2-(4-chlorophenyl)-1-benzothiophen-3-ol

C14H9ClOS — CID 15700624

IUPAC2-(4-chlorophenyl)-1-benzothiophen-3-ol
SMILESOc1c(-c2ccc(Cl)cc2)sc2ccccc12
InChIInChI=1S/C14H9ClOS/c15-10-7-5-9(6-8-10)14-13(16)11-3-1-2-4-12(11)17-14/h1-8,16H
InChIKeyVSIDMUXUDSGVDP-UHFFFAOYSA-N
MW260.75 g/mol
LogP4.93
Rot. Bonds1

About 2-(4-chlorophenyl)-1-benzothiophen-3-ol

2-(4-chlorophenyl)-1-benzothiophen-3-ol (PubChem CID 15700624) has the molecular formula C14H9ClOS and a molecular weight of 260.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-benzothiophen-3-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-benzothiophen-3-ol
PubChem CID15700624
Molecular FormulaC14H9ClOS
Molecular Weight260.75 g/mol
Exact Mass260.01
IUPAC Name2-(4-chlorophenyl)-1-benzothiophen-3-ol
SMILESOc1c(-c2ccc(Cl)cc2)sc2ccccc12
InChIInChI=1S/C14H9ClOS/c15-10-7-5-9(6-8-10)14-13(16)11-3-1-2-4-12(11)17-14/h1-8,16H
InChIKeyVSIDMUXUDSGVDP-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-benzothiophen-3-ol?
The IUPAC name of 2-(4-chlorophenyl)-1-benzothiophen-3-ol (CID 15700624) is 2-(4-chlorophenyl)-1-benzothiophen-3-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-benzothiophen-3-ol?
The canonical SMILES for 2-(4-chlorophenyl)-1-benzothiophen-3-ol is Oc1c(-c2ccc(Cl)cc2)sc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-1-benzothiophen-3-ol?
The InChIKey is VSIDMUXUDSGVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClOS/c15-10-7-5-9(6-8-10)14-13(16)11-3-1-2-4-12(11)17-14/h1-8,16H.
What are the key properties of 2-(4-chlorophenyl)-1-benzothiophen-3-ol?
2-(4-chlorophenyl)-1-benzothiophen-3-ol has a molecular weight of 260.75 g/mol, XLogP of 4.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-benzothiophen-3-ol is sourced from PubChem (CID 15700624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).