1-(1-benzothiophen-2-yl)ethanol

C10H10OS — CID 5182453

IUPAC1-(1-benzothiophen-2-yl)ethanol
SMILESCC(O)c1cc2ccccc2s1
InChIInChI=1S/C10H10OS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7,11H,1H3
InChIKeyUEPZZRRTVYYLEX-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.95
Rot. Bonds1

About 1-(1-benzothiophen-2-yl)ethanol

1-(1-benzothiophen-2-yl)ethanol (PubChem CID 5182453) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)ethanol
PubChem CID5182453
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name1-(1-benzothiophen-2-yl)ethanol
SMILESCC(O)c1cc2ccccc2s1
InChIInChI=1S/C10H10OS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7,11H,1H3
InChIKeyUEPZZRRTVYYLEX-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzothiophen-3-ylmethanol
CID 2776342
4-Benzo[b]thiophen-2-yl-4-hydroxy-cyclohexa-2,5-dienone
CID 482698
2-(Hydroxymethyl)benzo[b]thiophene
CID 2776335
Phenyl(2-thienyl)methanol
CID 2741016
1-Benzothiophen-5-ylmethanol
CID 2795446
O-[(1-benzothiophen-2-yl)methyl]hydroxylamine
CID 117194307
1-Benzothiophen-6-ylmethanol
CID 13540121
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene
CID 5460102
Cyclohexanol, 1-benzo[b]thien-2-yl-
CID 398367
(2-(Benzo[b]thiophen-2-yl)phenyl)methanol
CID 46228230
1-(1-Benzothiophen-2-yl)-2-methylsulfinylethanol
CID 53233005
5-(Phenylethynyl)thiophene-2-methanol
CID 2822242

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)ethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)ethanol (CID 5182453) is 1-(1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)ethanol is CC(O)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)ethanol?
The InChIKey is UEPZZRRTVYYLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7,11H,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)ethanol?
1-(1-benzothiophen-2-yl)ethanol has a molecular weight of 178.26 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 5182453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).