2-[3-(3,4,5-trimethoxyphenyl)-1-benzothiophen-2-yl]ethanol

C19H20O4S — CID 53301500

IUPAC2-[3-(3,4,5-trimethoxyphenyl)-1-benzothiophen-2-yl]ethanol
SMILESCOc1cc(-c2c(CCO)sc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C19H20O4S/c1-21-14-10-12(11-15(22-2)19(14)23-3)18-13-6-4-5-7-16(13)24-17(18)8-9-20/h4-7,10-11,20H,8-9H2,1-3H3
InChIKeyJOGYFVSTYHTMTI-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.13
Rot. Bonds6

About 2-[3-(3,4,5-trimethoxyphenyl)-1-benzothiophen-2-yl]ethanol

2-[3-(3,4,5-trimethoxyphenyl)-1-benzothiophen-2-yl]ethanol (PubChem CID 53301500) has the molecular formula C19H20O4S and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[3-(3,4,5-trimethoxyphenyl)-1-benzothiophen-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-(3,4,5-trimethoxyphenyl)-1-benzothiophen-2-yl]ethanol
PubChem CID53301500
Molecular FormulaC19H20O4S
Molecular Weight344.43 g/mol
Exact Mass344.11
IUPAC Name2-[3-(3,4,5-trimethoxyphenyl)-1-benzothiophen-2-yl]ethanol
SMILESCOc1cc(-c2c(CCO)sc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C19H20O4S/c1-21-14-10-12(11-15(22-2)19(14)23-3)18-13-6-4-5-7-16(13)24-17(18)8-9-20/h4-7,10-11,20H,8-9H2,1-3H3
InChIKeyJOGYFVSTYHTMTI-UHFFFAOYSA-N
XLogP4.13
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4,5-trimethoxyphenyl)-1-benzothiophen-2-yl]ethanol?
The IUPAC name of 2-[3-(3,4,5-trimethoxyphenyl)-1-benzothiophen-2-yl]ethanol (CID 53301500) is 2-[3-(3,4,5-trimethoxyphenyl)-1-benzothiophen-2-yl]ethanol.
What is the SMILES notation for 2-[3-(3,4,5-trimethoxyphenyl)-1-benzothiophen-2-yl]ethanol?
The canonical SMILES for 2-[3-(3,4,5-trimethoxyphenyl)-1-benzothiophen-2-yl]ethanol is COc1cc(-c2c(CCO)sc3ccccc23)cc(OC)c1OC.
What is the InChIKey of 2-[3-(3,4,5-trimethoxyphenyl)-1-benzothiophen-2-yl]ethanol?
The InChIKey is JOGYFVSTYHTMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4S/c1-21-14-10-12(11-15(22-2)19(14)23-3)18-13-6-4-5-7-16(13)24-17(18)8-9-20/h4-7,10-11,20H,8-9H2,1-3H3.
What are the key properties of 2-[3-(3,4,5-trimethoxyphenyl)-1-benzothiophen-2-yl]ethanol?
2-[3-(3,4,5-trimethoxyphenyl)-1-benzothiophen-2-yl]ethanol has a molecular weight of 344.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4,5-trimethoxyphenyl)-1-benzothiophen-2-yl]ethanol is sourced from PubChem (CID 53301500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).