5-(4-chlorophenyl)thiophen-3-ol

C10H7ClOS — CID 174919982

IUPAC5-(4-chlorophenyl)thiophen-3-ol
SMILESOc1csc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C10H7ClOS/c11-8-3-1-7(2-4-8)10-5-9(12)6-13-10/h1-6,12H
InChIKeyDILOFDXBDJWBPT-UHFFFAOYSA-N
MW210.69 g/mol
LogP3.77
Rot. Bonds1

About 5-(4-chlorophenyl)thiophen-3-ol

5-(4-chlorophenyl)thiophen-3-ol (PubChem CID 174919982) has the molecular formula C10H7ClOS and a molecular weight of 210.69 g/mol. Its IUPAC name is 5-(4-chlorophenyl)thiophen-3-ol.

Molecular Properties

Compound Name5-(4-chlorophenyl)thiophen-3-ol
PubChem CID174919982
Molecular FormulaC10H7ClOS
Molecular Weight210.69 g/mol
Exact Mass209.99
IUPAC Name5-(4-chlorophenyl)thiophen-3-ol
SMILESOc1csc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C10H7ClOS/c11-8-3-1-7(2-4-8)10-5-9(12)6-13-10/h1-6,12H
InChIKeyDILOFDXBDJWBPT-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 53.77
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 5-(4-chlorophenyl)thiophen-3-ol?
The IUPAC name of 5-(4-chlorophenyl)thiophen-3-ol (CID 174919982) is 5-(4-chlorophenyl)thiophen-3-ol.
What is the SMILES notation for 5-(4-chlorophenyl)thiophen-3-ol?
The canonical SMILES for 5-(4-chlorophenyl)thiophen-3-ol is Oc1csc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)thiophen-3-ol?
The InChIKey is DILOFDXBDJWBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClOS/c11-8-3-1-7(2-4-8)10-5-9(12)6-13-10/h1-6,12H.
What are the key properties of 5-(4-chlorophenyl)thiophen-3-ol?
5-(4-chlorophenyl)thiophen-3-ol has a molecular weight of 210.69 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)thiophen-3-ol is sourced from PubChem (CID 174919982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).