4-(4-chlorophenoxy)-3,5-dimethylthiophen-2-ol

C12H11ClO2S — CID 151679111

IUPAC4-(4-chlorophenoxy)-3,5-dimethylthiophen-2-ol
SMILESCc1sc(O)c(C)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClO2S/c1-7-11(8(2)16-12(7)14)15-10-5-3-9(13)4-6-10/h3-6,14H,1-2H3
InChIKeyRADQBNVWXGGGTG-UHFFFAOYSA-N
MW254.74 g/mol
LogP4.52
Rot. Bonds2

About 4-(4-chlorophenoxy)-3,5-dimethylthiophen-2-ol

4-(4-chlorophenoxy)-3,5-dimethylthiophen-2-ol (PubChem CID 151679111) has the molecular formula C12H11ClO2S and a molecular weight of 254.74 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-3,5-dimethylthiophen-2-ol.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-3,5-dimethylthiophen-2-ol
PubChem CID151679111
Molecular FormulaC12H11ClO2S
Molecular Weight254.74 g/mol
Exact Mass254.02
IUPAC Name4-(4-chlorophenoxy)-3,5-dimethylthiophen-2-ol
SMILESCc1sc(O)c(C)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClO2S/c1-7-11(8(2)16-12(7)14)15-10-5-3-9(13)4-6-10/h3-6,14H,1-2H3
InChIKeyRADQBNVWXGGGTG-UHFFFAOYSA-N
XLogP4.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-3,5-dimethylthiophen-2-ol?
The IUPAC name of 4-(4-chlorophenoxy)-3,5-dimethylthiophen-2-ol (CID 151679111) is 4-(4-chlorophenoxy)-3,5-dimethylthiophen-2-ol.
What is the SMILES notation for 4-(4-chlorophenoxy)-3,5-dimethylthiophen-2-ol?
The canonical SMILES for 4-(4-chlorophenoxy)-3,5-dimethylthiophen-2-ol is Cc1sc(O)c(C)c1Oc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-3,5-dimethylthiophen-2-ol?
The InChIKey is RADQBNVWXGGGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2S/c1-7-11(8(2)16-12(7)14)15-10-5-3-9(13)4-6-10/h3-6,14H,1-2H3.
What are the key properties of 4-(4-chlorophenoxy)-3,5-dimethylthiophen-2-ol?
4-(4-chlorophenoxy)-3,5-dimethylthiophen-2-ol has a molecular weight of 254.74 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-3,5-dimethylthiophen-2-ol is sourced from PubChem (CID 151679111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).