2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol

C11H11ClOS — CID 117119273

IUPAC2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol
SMILESCC(CO)c1csc2cccc(Cl)c12
InChIInChI=1S/C11H11ClOS/c1-7(5-13)8-6-14-10-4-2-3-9(12)11(8)10/h2-4,6-7,13H,5H2,1H3
InChIKeyPZYKSRXTTBJNII-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.65
Rot. Bonds2

About 2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol

2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol (PubChem CID 117119273) has the molecular formula C11H11ClOS and a molecular weight of 226.73 g/mol. Its IUPAC name is 2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol
PubChem CID117119273
Molecular FormulaC11H11ClOS
Molecular Weight226.73 g/mol
Exact Mass226.02
IUPAC Name2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol
SMILESCC(CO)c1csc2cccc(Cl)c12
InChIInChI=1S/C11H11ClOS/c1-7(5-13)8-6-14-10-4-2-3-9(12)11(8)10/h2-4,6-7,13H,5H2,1H3
InChIKeyPZYKSRXTTBJNII-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-1-benzofuran-3-yl)propan-1-ol
CID 117119144
4-chloro-3-(ethoxymethyl)-1-benzothiophene
CID 117170982
methyl 4-chloro-1-benzothiophene-3-carboxylate
CID 76854084
3-(1-fluoroethyl)-1-benzothiophene-4-carboxylic acid
CID 84689054
1-(4-methyl-1-benzothiophen-3-yl)ethanamine
CID 117119248
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115089512
3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine
CID 117119291
3-[2-chloro-6-[(2R)-1-hydroxypropan-2-yl]phenoxy]pentan-3-ol
CID 163660094
1-[4-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol
CID 117119220
2-(2-chloro-4-methylphenyl)propan-1-ol
CID 117279955
2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide
CID 166432160
2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol
CID 83924659

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol?
The IUPAC name of 2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol (CID 117119273) is 2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol.
What is the SMILES notation for 2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol?
The canonical SMILES for 2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol is CC(CO)c1csc2cccc(Cl)c12.
What is the InChIKey of 2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol?
The InChIKey is PZYKSRXTTBJNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClOS/c1-7(5-13)8-6-14-10-4-2-3-9(12)11(8)10/h2-4,6-7,13H,5H2,1H3.
What are the key properties of 2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol?
2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol has a molecular weight of 226.73 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol is sourced from PubChem (CID 117119273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).