(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol

C10H14OS — CID 71670866

IUPAC(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
SMILESCC1CCc2sc(CO)cc2C1
InChIInChI=1S/C10H14OS/c1-7-2-3-10-8(4-7)5-9(6-11)12-10/h5,7,11H,2-4,6H2,1H3
InChIKeyWMKIRKBRGPAGGJ-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.37
Rot. Bonds1

About (5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol

(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol (PubChem CID 71670866) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is (5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
PubChem CID71670866
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
SMILESCC1CCc2sc(CO)cc2C1
InChIInChI=1S/C10H14OS/c1-7-2-3-10-8(4-7)5-9(6-11)12-10/h5,7,11H,2-4,6H2,1H3
InChIKeyWMKIRKBRGPAGGJ-UHFFFAOYSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43236699
5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl chloride
CID 6485363
[2-(methylamino)-2-oxoethyl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7792142
N-(2-hydroxyethyl)-N,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 60655141
1-[(1R,2S)-2-fluorocyclopropyl]-2-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanone;2,2,2-trifluoroacetate
CID 167686240
ethyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 42582900
methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7987070
N-(4-hydroxybutyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 106843000
5-methyl-N-(pentan-3-ylideneamino)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 16556263
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 66260510
N-(2-amino-2-methylpropyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 119626559
(5S)-N-[(2R)-2,3-dihydroxy-2-methylpropyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 97102523

Frequently Asked Questions

What is the IUPAC name of (5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol (CID 71670866) is (5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol is CC1CCc2sc(CO)cc2C1.
What is the InChIKey of (5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The InChIKey is WMKIRKBRGPAGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-7-2-3-10-8(4-7)5-9(6-11)12-10/h5,7,11H,2-4,6H2,1H3.
What are the key properties of (5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol has a molecular weight of 182.29 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 71670866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).