2-[2-[4-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]phenyl]-5-methylthiophen-3-yl]ethanol

C20H22O2S2 — CID 90139445

IUPAC2-[2-[4-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]phenyl]-5-methylthiophen-3-yl]ethanol
SMILESCc1cc(CCO)c(-c2ccc(-c3sc(C)cc3CCO)cc2)s1
InChIInChI=1S/C20H22O2S2/c1-13-11-17(7-9-21)19(23-13)15-3-5-16(6-4-15)20-18(8-10-22)12-14(2)24-20/h3-6,11-12,21-22H,7-10H2,1-2H3
InChIKeyKLAITXNWYPWAKR-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.83
Rot. Bonds6

About 2-[2-[4-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]phenyl]-5-methylthiophen-3-yl]ethanol

2-[2-[4-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]phenyl]-5-methylthiophen-3-yl]ethanol (PubChem CID 90139445) has the molecular formula C20H22O2S2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 2-[2-[4-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]phenyl]-5-methylthiophen-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-[4-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]phenyl]-5-methylthiophen-3-yl]ethanol
PubChem CID90139445
Molecular FormulaC20H22O2S2
Molecular Weight358.53 g/mol
Exact Mass358.11
IUPAC Name2-[2-[4-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]phenyl]-5-methylthiophen-3-yl]ethanol
SMILESCc1cc(CCO)c(-c2ccc(-c3sc(C)cc3CCO)cc2)s1
InChIInChI=1S/C20H22O2S2/c1-13-11-17(7-9-21)19(23-13)15-3-5-16(6-4-15)20-18(8-10-22)12-14(2)24-20/h3-6,11-12,21-22H,7-10H2,1-2H3
InChIKeyKLAITXNWYPWAKR-UHFFFAOYSA-N
XLogP4.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]phenyl]-5-methylthiophen-3-yl]ethanol?
The IUPAC name of 2-[2-[4-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]phenyl]-5-methylthiophen-3-yl]ethanol (CID 90139445) is 2-[2-[4-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]phenyl]-5-methylthiophen-3-yl]ethanol.
What is the SMILES notation for 2-[2-[4-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]phenyl]-5-methylthiophen-3-yl]ethanol?
The canonical SMILES for 2-[2-[4-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]phenyl]-5-methylthiophen-3-yl]ethanol is Cc1cc(CCO)c(-c2ccc(-c3sc(C)cc3CCO)cc2)s1.
What is the InChIKey of 2-[2-[4-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]phenyl]-5-methylthiophen-3-yl]ethanol?
The InChIKey is KLAITXNWYPWAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2S2/c1-13-11-17(7-9-21)19(23-13)15-3-5-16(6-4-15)20-18(8-10-22)12-14(2)24-20/h3-6,11-12,21-22H,7-10H2,1-2H3.
What are the key properties of 2-[2-[4-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]phenyl]-5-methylthiophen-3-yl]ethanol?
2-[2-[4-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]phenyl]-5-methylthiophen-3-yl]ethanol has a molecular weight of 358.53 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[3-(2-hydroxyethyl)-5-methylthiophen-2-yl]phenyl]-5-methylthiophen-3-yl]ethanol is sourced from PubChem (CID 90139445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).