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

C17H12Cl2O2S — CID 71624799

IUPAC3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)-4-methylthiophen-2-yl]phenol
SMILESCc1cc(-c2ccc(O)cc2Cl)sc1-c1ccc(O)cc1Cl
InChIInChI=1S/C17H12Cl2O2S/c1-9-6-16(12-4-2-10(20)7-14(12)18)22-17(9)13-5-3-11(21)8-15(13)19/h2-8,20-21H,1H3
InChIKeySYKYEGTTWRENSH-UHFFFAOYSA-N
MW351.25 g/mol
LogP6.11
Rot. Bonds2

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

3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)-4-methylthiophen-2-yl]phenol (PubChem CID 71624799) has the molecular formula C17H12Cl2O2S and a molecular weight of 351.25 g/mol. Its IUPAC name is 3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)-4-methylthiophen-2-yl]phenol.

Molecular Properties

Compound Name3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)-4-methylthiophen-2-yl]phenol
PubChem CID71624799
Molecular FormulaC17H12Cl2O2S
Molecular Weight351.25 g/mol
Exact Mass349.99
IUPAC Name3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)-4-methylthiophen-2-yl]phenol
SMILESCc1cc(-c2ccc(O)cc2Cl)sc1-c1ccc(O)cc1Cl
InChIInChI=1S/C17H12Cl2O2S/c1-9-6-16(12-4-2-10(20)7-14(12)18)22-17(9)13-5-3-11(21)8-15(13)19/h2-8,20-21H,1H3
InChIKeySYKYEGTTWRENSH-UHFFFAOYSA-N
XLogP6.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.25
LogP ≤ 56.11
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)-4-methylthiophen-2-yl]phenol?
The IUPAC name of 3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)-4-methylthiophen-2-yl]phenol (CID 71624799) is 3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)-4-methylthiophen-2-yl]phenol.
What is the SMILES notation for 3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)-4-methylthiophen-2-yl]phenol?
The canonical SMILES for 3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)-4-methylthiophen-2-yl]phenol is Cc1cc(-c2ccc(O)cc2Cl)sc1-c1ccc(O)cc1Cl.
What is the InChIKey of 3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)-4-methylthiophen-2-yl]phenol?
The InChIKey is SYKYEGTTWRENSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2O2S/c1-9-6-16(12-4-2-10(20)7-14(12)18)22-17(9)13-5-3-11(21)8-15(13)19/h2-8,20-21H,1H3.
What are the key properties of 3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)-4-methylthiophen-2-yl]phenol?
3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)-4-methylthiophen-2-yl]phenol has a molecular weight of 351.25 g/mol, XLogP of 6.11, 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)-4-methylthiophen-2-yl]phenol is sourced from PubChem (CID 71624799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).