4-chloro-2-thiophen-2-ylphenol

C10H7ClOS — CID 24755172

IUPAC4-chloro-2-thiophen-2-ylphenol
SMILESOc1ccc(Cl)cc1-c1cccs1
InChIInChI=1S/C10H7ClOS/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h1-6,12H
InChIKeyKJWWKZHWHAFBIC-UHFFFAOYSA-N
MW210.69 g/mol
LogP3.77
Rot. Bonds1

About 4-chloro-2-thiophen-2-ylphenol

4-chloro-2-thiophen-2-ylphenol (PubChem CID 24755172) has the molecular formula C10H7ClOS and a molecular weight of 210.69 g/mol. Its IUPAC name is 4-chloro-2-thiophen-2-ylphenol.

Molecular Properties

Compound Name4-chloro-2-thiophen-2-ylphenol
PubChem CID24755172
Molecular FormulaC10H7ClOS
Molecular Weight210.69 g/mol
Exact Mass209.99
IUPAC Name4-chloro-2-thiophen-2-ylphenol
SMILESOc1ccc(Cl)cc1-c1cccs1
InChIInChI=1S/C10H7ClOS/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h1-6,12H
InChIKeyKJWWKZHWHAFBIC-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-thiophen-2-ylphenol?
The IUPAC name of 4-chloro-2-thiophen-2-ylphenol (CID 24755172) is 4-chloro-2-thiophen-2-ylphenol.
What is the SMILES notation for 4-chloro-2-thiophen-2-ylphenol?
The canonical SMILES for 4-chloro-2-thiophen-2-ylphenol is Oc1ccc(Cl)cc1-c1cccs1.
What is the InChIKey of 4-chloro-2-thiophen-2-ylphenol?
The InChIKey is KJWWKZHWHAFBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClOS/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h1-6,12H.
What are the key properties of 4-chloro-2-thiophen-2-ylphenol?
4-chloro-2-thiophen-2-ylphenol 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 4-chloro-2-thiophen-2-ylphenol is sourced from PubChem (CID 24755172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).