7-chloro-4-propyl-1-benzothiophene

C11H11ClS — CID 123468931

IUPAC7-chloro-4-propyl-1-benzothiophene
SMILESCCCc1ccc(Cl)c2sccc12
InChIInChI=1S/C11H11ClS/c1-2-3-8-4-5-10(12)11-9(8)6-7-13-11/h4-7H,2-3H2,1H3
InChIKeyAESDEKGCUGQIPO-UHFFFAOYSA-N
MW210.73 g/mol
LogP4.51
Rot. Bonds2

About 7-chloro-4-propyl-1-benzothiophene

7-chloro-4-propyl-1-benzothiophene (PubChem CID 123468931) has the molecular formula C11H11ClS and a molecular weight of 210.73 g/mol. Its IUPAC name is 7-chloro-4-propyl-1-benzothiophene.

Molecular Properties

Compound Name7-chloro-4-propyl-1-benzothiophene
PubChem CID123468931
Molecular FormulaC11H11ClS
Molecular Weight210.73 g/mol
Exact Mass210.03
IUPAC Name7-chloro-4-propyl-1-benzothiophene
SMILESCCCc1ccc(Cl)c2sccc12
InChIInChI=1S/C11H11ClS/c1-2-3-8-4-5-10(12)11-9(8)6-7-13-11/h4-7H,2-3H2,1H3
InChIKeyAESDEKGCUGQIPO-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.73
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-chloro-4-propyl-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-5-ethyl-4-methoxy-1-benzothiophene
CID 130971610
5-chloro-4,7-diethyl-1-benzothiophene
CID 131059958
5,10-didecyl-[1]benzothiolo[7,6-g][1]benzothiole
CID 102109228
1,3-dichloro-2,4-dipropylbenzene
CID 54410685
7-chloro-1-benzothiophene-4-carbonitrile
CID 130063068
(7-chloro-4-iodo-1-benzothiophen-5-yl)methanol
CID 131031169
8-methyl-4-propylthieno[2,3-f][1]benzothiole
CID 123432541
1-chloro-2-methyl-3,4-dipropylbenzene
CID 143014391
methyl 7-chloro-1-benzothiophene-4-carboxylate
CID 130063077
7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene
CID 131053830
5,10-didecyl-[1]benzothiolo[5,4-e][1]benzothiole
CID 102109231
2-[5-[5-(4,5-dipropylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-dipropylthieno[3,2-e][1]benzothiole
CID 143769792

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-propyl-1-benzothiophene?
The IUPAC name of 7-chloro-4-propyl-1-benzothiophene (CID 123468931) is 7-chloro-4-propyl-1-benzothiophene.
What is the SMILES notation for 7-chloro-4-propyl-1-benzothiophene?
The canonical SMILES for 7-chloro-4-propyl-1-benzothiophene is CCCc1ccc(Cl)c2sccc12.
What is the InChIKey of 7-chloro-4-propyl-1-benzothiophene?
The InChIKey is AESDEKGCUGQIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClS/c1-2-3-8-4-5-10(12)11-9(8)6-7-13-11/h4-7H,2-3H2,1H3.
What are the key properties of 7-chloro-4-propyl-1-benzothiophene?
7-chloro-4-propyl-1-benzothiophene has a molecular weight of 210.73 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-propyl-1-benzothiophene is sourced from PubChem (CID 123468931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).