1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol

C11H14OS — CID 117203035

IUPAC1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol
SMILESCC(O)c1cccc2c1C(C)CS2
InChIInChI=1S/C11H14OS/c1-7-6-13-10-5-3-4-9(8(2)12)11(7)10/h3-5,7-8,12H,6H2,1-2H3
InChIKeyZNLBWGWYWCHDQE-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.95
Rot. Bonds1

About 1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol

1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol (PubChem CID 117203035) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol
PubChem CID117203035
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol
SMILESCC(O)c1cccc2c1C(C)CS2
InChIInChI=1S/C11H14OS/c1-7-6-13-10-5-3-4-9(8(2)12)11(7)10/h3-5,7-8,12H,6H2,1-2H3
InChIKeyZNLBWGWYWCHDQE-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-2,3-dihydro-1-benzothiophene
CID 23165633
2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol
CID 117203047
N-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanamine
CID 117203072
1-[2-(thietan-3-yl)phenyl]ethanol
CID 117284888
1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanol
CID 117204069
3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol
CID 117200294
(3S)-3-methyl-2,3-dihydrothiochromen-4-one
CID 51656328
1-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine
CID 117199287
5,6-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzothiepine
CID 170669166
2-(4-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol
CID 117199815
6-chloro-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
CID 105356321
3-(4-chloro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid
CID 117199872

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol?
The IUPAC name of 1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol (CID 117203035) is 1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol.
What is the SMILES notation for 1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol?
The canonical SMILES for 1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol is CC(O)c1cccc2c1C(C)CS2.
What is the InChIKey of 1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol?
The InChIKey is ZNLBWGWYWCHDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-7-6-13-10-5-3-4-9(8(2)12)11(7)10/h3-5,7-8,12H,6H2,1-2H3.
What are the key properties of 1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol?
1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol has a molecular weight of 194.30 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-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol is sourced from PubChem (CID 117203035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).