1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol

C13H14OS — CID 81153991

IUPAC1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol
SMILESCC1(C(O)c2cccc3ccsc23)CC1
InChIInChI=1S/C13H14OS/c1-13(6-7-13)12(14)10-4-2-3-9-5-8-15-11(9)10/h2-5,8,12,14H,6-7H2,1H3
InChIKeyMHIAMYIKWBTHDE-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.73
Rot. Bonds2

About 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol

1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol (PubChem CID 81153991) has the molecular formula C13H14OS and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol
PubChem CID81153991
Molecular FormulaC13H14OS
Molecular Weight218.32 g/mol
Exact Mass218.08
IUPAC Name1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol
SMILESCC1(C(O)c2cccc3ccsc23)CC1
InChIInChI=1S/C13H14OS/c1-13(6-7-13)12(14)10-4-2-3-9-5-8-15-11(9)10/h2-5,8,12,14H,6-7H2,1H3
InChIKeyMHIAMYIKWBTHDE-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol
CID 115827254
1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanol
CID 81129786
1-(1-benzothiophen-7-yl)-2-methylpropane-1,2-diol
CID 103448864
1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol
CID 81146470
1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone
CID 81154198
1-(1-benzothiophen-7-yl)-2-cyclopentylethanol
CID 115827369
1-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine
CID 81128591
1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol
CID 81141860
2-(1-benzothiophen-7-yl)-3-methylbutanoic acid
CID 81147123
1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762819
1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol
CID 81154320
1-(1-benzothiophen-7-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 81153067

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol?
The IUPAC name of 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol (CID 81153991) is 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol.
What is the SMILES notation for 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol?
The canonical SMILES for 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol is CC1(C(O)c2cccc3ccsc23)CC1.
What is the InChIKey of 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol?
The InChIKey is MHIAMYIKWBTHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS/c1-13(6-7-13)12(14)10-4-2-3-9-5-8-15-11(9)10/h2-5,8,12,14H,6-7H2,1H3.
What are the key properties of 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol?
1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol has a molecular weight of 218.32 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol is sourced from PubChem (CID 81153991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).