3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]phenol

C16H10Cl2O2S — CID 71624342

IUPAC3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]phenol
SMILESOc1ccc(-c2ccc(-c3ccc(O)cc3Cl)s2)c(Cl)c1
InChIInChI=1S/C16H10Cl2O2S/c17-13-7-9(19)1-3-11(13)15-5-6-16(21-15)12-4-2-10(20)8-14(12)18/h1-8,19-20H
InChIKeyVTUSJVDCYSEYNA-UHFFFAOYSA-N
MW337.23 g/mol
LogP5.80
Rot. Bonds2

About 3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]phenol

3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]phenol (PubChem CID 71624342) has the molecular formula C16H10Cl2O2S and a molecular weight of 337.23 g/mol. Its IUPAC name is 3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]phenol.

Molecular Properties

Compound Name3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]phenol
PubChem CID71624342
Molecular FormulaC16H10Cl2O2S
Molecular Weight337.23 g/mol
Exact Mass335.98
IUPAC Name3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]phenol
SMILESOc1ccc(-c2ccc(-c3ccc(O)cc3Cl)s2)c(Cl)c1
InChIInChI=1S/C16H10Cl2O2S/c17-13-7-9(19)1-3-11(13)15-5-6-16(21-15)12-4-2-10(20)8-14(12)18/h1-8,19-20H
InChIKeyVTUSJVDCYSEYNA-UHFFFAOYSA-N
XLogP5.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.23
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]phenol?
The IUPAC name of 3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]phenol (CID 71624342) is 3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]phenol.
What is the SMILES notation for 3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]phenol?
The canonical SMILES for 3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]phenol is Oc1ccc(-c2ccc(-c3ccc(O)cc3Cl)s2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]phenol?
The InChIKey is VTUSJVDCYSEYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O2S/c17-13-7-9(19)1-3-11(13)15-5-6-16(21-15)12-4-2-10(20)8-14(12)18/h1-8,19-20H.
What are the key properties of 3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]phenol?
3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]phenol has a molecular weight of 337.23 g/mol, XLogP of 5.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]phenol is sourced from PubChem (CID 71624342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).