2-(5-methoxy-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol

C12H16O2S — CID 117201358

IUPAC2-(5-methoxy-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol
SMILESCOc1ccc2c(c1)CC(C(C)(C)O)S2
InChIInChI=1S/C12H16O2S/c1-12(2,13)11-7-8-6-9(14-3)4-5-10(8)15-11/h4-6,11,13H,7H2,1-3H3
InChIKeyQMEDCMICFRMLJC-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.48
Rot. Bonds2

About 2-(5-methoxy-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol

2-(5-methoxy-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol (PubChem CID 117201358) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-(5-methoxy-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-methoxy-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol
PubChem CID117201358
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name2-(5-methoxy-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol
SMILESCOc1ccc2c(c1)CC(C(C)(C)O)S2
InChIInChI=1S/C12H16O2S/c1-12(2,13)11-7-8-6-9(14-3)4-5-10(8)15-11/h4-6,11,13H,7H2,1-3H3
InChIKeyQMEDCMICFRMLJC-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol
CID 117201306
1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine
CID 82239533
2-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indene
CID 134338473
1-(6-methoxy-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride
CID 19982151
2-(6-methoxy-3,4-dihydronaphthalen-2-yl)propan-2-amine
CID 105471629
1-cyclopropyl-1-(6-methoxynaphthalen-2-yl)ethanol
CID 91658263
2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol
CID 117037282
2,8-dimethoxythianthrene
CID 71400378
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379
1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 115137127
2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol
CID 116995809

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol?
The IUPAC name of 2-(5-methoxy-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol (CID 117201358) is 2-(5-methoxy-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol.
What is the SMILES notation for 2-(5-methoxy-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol?
The canonical SMILES for 2-(5-methoxy-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol is COc1ccc2c(c1)CC(C(C)(C)O)S2.
What is the InChIKey of 2-(5-methoxy-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol?
The InChIKey is QMEDCMICFRMLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-12(2,13)11-7-8-6-9(14-3)4-5-10(8)15-11/h4-6,11,13H,7H2,1-3H3.
What are the key properties of 2-(5-methoxy-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol?
2-(5-methoxy-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol has a molecular weight of 224.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol is sourced from PubChem (CID 117201358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).