1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol

C12H14O2S — CID 63739171

IUPAC1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)Cc1csc2ccccc12
InChIInChI=1S/C12H14O2S/c1-14-7-10(13)6-9-8-15-12-5-3-2-4-11(9)12/h2-5,8,10,13H,6-7H2,1H3
InChIKeyGOHFLXLVWNSTLC-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.45
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol

1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol (PubChem CID 63739171) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
PubChem CID63739171
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Name1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)Cc1csc2ccccc12
InChIInChI=1S/C12H14O2S/c1-14-7-10(13)6-9-8-15-12-5-3-2-4-11(9)12/h2-5,8,10,13H,6-7H2,1H3
InChIKeyGOHFLXLVWNSTLC-UHFFFAOYSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 63738831
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
1-(1-benzothiophen-3-yl)-4-(dimethylamino)butan-2-ol
CID 113291149
3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756762
1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol
CID 105083372
1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 63737758
1-(1-benzothiophen-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 63737757
methyl 2-amino-3-(1-benzothiophen-3-yl)propanoate;hydrochloride
CID 68769670
3-(2-methyl-3-phenylpropyl)-1-benzothiophene
CID 4715035
2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol
CID 63736721
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide
CID 121023374
N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 55012559

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol (CID 63739171) is 1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol is COCC(O)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol?
The InChIKey is GOHFLXLVWNSTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S/c1-14-7-10(13)6-9-8-15-12-5-3-2-4-11(9)12/h2-5,8,10,13H,6-7H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol?
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol has a molecular weight of 222.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol is sourced from PubChem (CID 63739171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).