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

C12H16OS — CID 117201801

IUPAC1-(5-methyl-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol
SMILESCc1ccc2c(c1)C(CC(C)O)CS2
InChIInChI=1S/C12H16OS/c1-8-3-4-12-11(5-8)10(7-14-12)6-9(2)13/h3-5,9-10,13H,6-7H2,1-2H3
InChIKeySNGDNKVOQLVPDE-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.96
Rot. Bonds2

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

1-(5-methyl-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol (PubChem CID 117201801) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-(5-methyl-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-methyl-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol
PubChem CID117201801
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name1-(5-methyl-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol
SMILESCc1ccc2c(c1)C(CC(C)O)CS2
InChIInChI=1S/C12H16OS/c1-8-3-4-12-11(5-8)10(7-14-12)6-9(2)13/h3-5,9-10,13H,6-7H2,1-2H3
InChIKeySNGDNKVOQLVPDE-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol
CID 79215081
1-(5-bromo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine
CID 117202068
3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-methylphenyl)propanoic acid
CID 79431572
3-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-2-methylpropanoic acid
CID 117202458
5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol
CID 79225995
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843
3-(2,3-dihydro-1-benzothiophen-3-yl)-2-methyl-1-phenylpropan-1-one
CID 104844996
3-[2-(bromomethyl)-3-methylbutyl]-2,3-dihydro-1-benzothiophene
CID 79226883
(4S)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 51885338
(4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 51885336
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403230
ethyl 2-amino-3-(2,3-dihydro-1-benzothiophen-3-yl)propanoate
CID 79220875

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol?
The IUPAC name of 1-(5-methyl-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol (CID 117201801) is 1-(5-methyl-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol.
What is the SMILES notation for 1-(5-methyl-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol?
The canonical SMILES for 1-(5-methyl-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol is Cc1ccc2c(c1)C(CC(C)O)CS2.
What is the InChIKey of 1-(5-methyl-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol?
The InChIKey is SNGDNKVOQLVPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-8-3-4-12-11(5-8)10(7-14-12)6-9(2)13/h3-5,9-10,13H,6-7H2,1-2H3.
What are the key properties of 1-(5-methyl-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol?
1-(5-methyl-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol has a molecular weight of 208.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol is sourced from PubChem (CID 117201801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).