(2,5-dichlorothiophen-3-yl)-(2,4,6-triethylphenyl)methanol

C17H20Cl2OS — CID 107964351

IUPAC(2,5-dichlorothiophen-3-yl)-(2,4,6-triethylphenyl)methanol
SMILESCCc1cc(CC)c(C(O)c2cc(Cl)sc2Cl)c(CC)c1
InChIInChI=1S/C17H20Cl2OS/c1-4-10-7-11(5-2)15(12(6-3)8-10)16(20)13-9-14(18)21-17(13)19/h7-9,16,20H,4-6H2,1-3H3
InChIKeySOPGHJNUHZFKGY-UHFFFAOYSA-N
MW343.32 g/mol
LogP5.82
Rot. Bonds5

About (2,5-dichlorothiophen-3-yl)-(2,4,6-triethylphenyl)methanol

(2,5-dichlorothiophen-3-yl)-(2,4,6-triethylphenyl)methanol (PubChem CID 107964351) has the molecular formula C17H20Cl2OS and a molecular weight of 343.32 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(2,4,6-triethylphenyl)methanol.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(2,4,6-triethylphenyl)methanol
PubChem CID107964351
Molecular FormulaC17H20Cl2OS
Molecular Weight343.32 g/mol
Exact Mass342.06
IUPAC Name(2,5-dichlorothiophen-3-yl)-(2,4,6-triethylphenyl)methanol
SMILESCCc1cc(CC)c(C(O)c2cc(Cl)sc2Cl)c(CC)c1
InChIInChI=1S/C17H20Cl2OS/c1-4-10-7-11(5-2)15(12(6-3)8-10)16(20)13-9-14(18)21-17(13)19/h7-9,16,20H,4-6H2,1-3H3
InChIKeySOPGHJNUHZFKGY-UHFFFAOYSA-N
XLogP5.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.32
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,5-dichlorothiophen-3-yl)-(2,4,6-triethylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,4,6-triethylphenyl)methanol?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,4,6-triethylphenyl)methanol (CID 107964351) is (2,5-dichlorothiophen-3-yl)-(2,4,6-triethylphenyl)methanol.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(2,4,6-triethylphenyl)methanol?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(2,4,6-triethylphenyl)methanol is CCc1cc(CC)c(C(O)c2cc(Cl)sc2Cl)c(CC)c1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(2,4,6-triethylphenyl)methanol?
The InChIKey is SOPGHJNUHZFKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2OS/c1-4-10-7-11(5-2)15(12(6-3)8-10)16(20)13-9-14(18)21-17(13)19/h7-9,16,20H,4-6H2,1-3H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(2,4,6-triethylphenyl)methanol?
(2,5-dichlorothiophen-3-yl)-(2,4,6-triethylphenyl)methanol has a molecular weight of 343.32 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(2,4,6-triethylphenyl)methanol is sourced from PubChem (CID 107964351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).