4-(5-chlorothiophen-2-yl)phenol

C10H7ClOS — CID 901473

IUPAC4-(5-chlorothiophen-2-yl)phenol
SMILESOc1ccc(-c2ccc(Cl)s2)cc1
InChIInChI=1S/C10H7ClOS/c11-10-6-5-9(13-10)7-1-3-8(12)4-2-7/h1-6,12H
InChIKeyPRBGZSOKDWGBND-UHFFFAOYSA-N
MW210.69 g/mol
LogP3.77
Rot. Bonds1

About 4-(5-chlorothiophen-2-yl)phenol

4-(5-chlorothiophen-2-yl)phenol (PubChem CID 901473) has the molecular formula C10H7ClOS and a molecular weight of 210.69 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)phenol.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)phenol
PubChem CID901473
Molecular FormulaC10H7ClOS
Molecular Weight210.69 g/mol
Exact Mass209.99
IUPAC Name4-(5-chlorothiophen-2-yl)phenol
SMILESOc1ccc(-c2ccc(Cl)s2)cc1
InChIInChI=1S/C10H7ClOS/c11-10-6-5-9(13-10)7-1-3-8(12)4-2-7/h1-6,12H
InChIKeyPRBGZSOKDWGBND-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-(5-chlorothiophen-2-yl)phenol?
The IUPAC name of 4-(5-chlorothiophen-2-yl)phenol (CID 901473) is 4-(5-chlorothiophen-2-yl)phenol.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)phenol?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)phenol is Oc1ccc(-c2ccc(Cl)s2)cc1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)phenol?
The InChIKey is PRBGZSOKDWGBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClOS/c11-10-6-5-9(13-10)7-1-3-8(12)4-2-7/h1-6,12H.
What are the key properties of 4-(5-chlorothiophen-2-yl)phenol?
4-(5-chlorothiophen-2-yl)phenol 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-(5-chlorothiophen-2-yl)phenol is sourced from PubChem (CID 901473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).