2-[2-[5-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]ethanol

C18H20O2S3 — CID 90139463

IUPAC2-[2-[5-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]ethanol
SMILESCc1cc(CCO)c(-c2ccc(-c3sc(C)cc3CCO)s2)s1
InChIInChI=1S/C18H20O2S3/c1-11-9-13(5-7-19)17(21-11)15-3-4-16(23-15)18-14(6-8-20)10-12(2)22-18/h3-4,9-10,19-20H,5-8H2,1-2H3
InChIKeyRUQPVVPGGQKSAS-UHFFFAOYSA-N
MW364.56 g/mol
LogP4.89
Rot. Bonds6

About 2-[2-[5-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]ethanol

2-[2-[5-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]ethanol (PubChem CID 90139463) has the molecular formula C18H20O2S3 and a molecular weight of 364.56 g/mol. Its IUPAC name is 2-[2-[5-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-[5-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]ethanol
PubChem CID90139463
Molecular FormulaC18H20O2S3
Molecular Weight364.56 g/mol
Exact Mass364.06
IUPAC Name2-[2-[5-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]ethanol
SMILESCc1cc(CCO)c(-c2ccc(-c3sc(C)cc3CCO)s2)s1
InChIInChI=1S/C18H20O2S3/c1-11-9-13(5-7-19)17(21-11)15-3-4-16(23-15)18-14(6-8-20)10-12(2)22-18/h3-4,9-10,19-20H,5-8H2,1-2H3
InChIKeyRUQPVVPGGQKSAS-UHFFFAOYSA-N
XLogP4.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]ethanol?
The IUPAC name of 2-[2-[5-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]ethanol (CID 90139463) is 2-[2-[5-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]ethanol.
What is the SMILES notation for 2-[2-[5-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]ethanol?
The canonical SMILES for 2-[2-[5-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]ethanol is Cc1cc(CCO)c(-c2ccc(-c3sc(C)cc3CCO)s2)s1.
What is the InChIKey of 2-[2-[5-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]ethanol?
The InChIKey is RUQPVVPGGQKSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2S3/c1-11-9-13(5-7-19)17(21-11)15-3-4-16(23-15)18-14(6-8-20)10-12(2)22-18/h3-4,9-10,19-20H,5-8H2,1-2H3.
What are the key properties of 2-[2-[5-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]ethanol?
2-[2-[5-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]ethanol has a molecular weight of 364.56 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]ethanol is sourced from PubChem (CID 90139463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).