3-propyl-1-benzothiophen-2-ol

C11H12OS — CID 69483518

IUPAC3-propyl-1-benzothiophen-2-ol
SMILESCCCc1c(O)sc2ccccc12
InChIInChI=1S/C11H12OS/c1-2-5-9-8-6-3-4-7-10(8)13-11(9)12/h3-4,6-7,12H,2,5H2,1H3
InChIKeyYMLQODTVCZAIFF-UHFFFAOYSA-N
MW192.28 g/mol
LogP3.56
Rot. Bonds2

About 3-propyl-1-benzothiophen-2-ol

3-propyl-1-benzothiophen-2-ol (PubChem CID 69483518) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-propyl-1-benzothiophen-2-ol.

Molecular Properties

Compound Name3-propyl-1-benzothiophen-2-ol
PubChem CID69483518
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name3-propyl-1-benzothiophen-2-ol
SMILESCCCc1c(O)sc2ccccc12
InChIInChI=1S/C11H12OS/c1-2-5-9-8-6-3-4-7-10(8)13-11(9)12/h3-4,6-7,12H,2,5H2,1H3
InChIKeyYMLQODTVCZAIFF-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dipropylthiochromen-4-one
CID 101499421
N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378013
N-(4-hydroxyphenyl)-N-methyl-3-propyl-1-benzothiophene-2-carboxamide
CID 110498549
18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene
CID 132568977
1-but-1-en-2-yl-2-(3-propyl-1-benzothiophen-2-yl)pyridin-1-ium
CID 123690033
3-pentyl-1-benzothiophene-2-carboxylic acid
CID 82364876
3-butyl-1-benzothiophene-2-carbonyl chloride
CID 82364907
N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500869
3-ethyl-1-benzothiophene-2-carbaldehyde
CID 82374273
N-(4-tert-butylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500865
N-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide
CID 110497075
N-(2,3-dimethylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500805

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-benzothiophen-2-ol?
The IUPAC name of 3-propyl-1-benzothiophen-2-ol (CID 69483518) is 3-propyl-1-benzothiophen-2-ol.
What is the SMILES notation for 3-propyl-1-benzothiophen-2-ol?
The canonical SMILES for 3-propyl-1-benzothiophen-2-ol is CCCc1c(O)sc2ccccc12.
What is the InChIKey of 3-propyl-1-benzothiophen-2-ol?
The InChIKey is YMLQODTVCZAIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c1-2-5-9-8-6-3-4-7-10(8)13-11(9)12/h3-4,6-7,12H,2,5H2,1H3.
What are the key properties of 3-propyl-1-benzothiophen-2-ol?
3-propyl-1-benzothiophen-2-ol has a molecular weight of 192.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-benzothiophen-2-ol is sourced from PubChem (CID 69483518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).