2,5-dimethoxy-1-benzothiophene

C10H10O2S — CID 69101358

IUPAC2,5-dimethoxy-1-benzothiophene
SMILESCOc1ccc2sc(OC)cc2c1
InChIInChI=1S/C10H10O2S/c1-11-8-3-4-9-7(5-8)6-10(12-2)13-9/h3-6H,1-2H3
InChIKeyKBDDYKISKHAEBY-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.92
Rot. Bonds2

About 2,5-dimethoxy-1-benzothiophene

2,5-dimethoxy-1-benzothiophene (PubChem CID 69101358) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 2,5-dimethoxy-1-benzothiophene.

Molecular Properties

Compound Name2,5-dimethoxy-1-benzothiophene
PubChem CID69101358
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name2,5-dimethoxy-1-benzothiophene
SMILESCOc1ccc2sc(OC)cc2c1
InChIInChI=1S/C10H10O2S/c1-11-8-3-4-9-7(5-8)6-10(12-2)13-9/h3-6H,1-2H3
InChIKeyKBDDYKISKHAEBY-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methoxy-1-benzothiophene
CID 74891301
(5-methoxy-1-benzothiophen-2-yl)methanamine
CID 82605307
5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene
CID 170556365
6,16-dimethoxy-7,17-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),5,9,12,14(18),15,19-nonaene
CID 58426675
5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
CID 115109988
1-(5-methoxy-1-benzothiophen-2-yl)piperazine
CID 82623074
3-(5-methoxy-1-benzothiophen-2-yl)butanoic acid
CID 115004521
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one
CID 82666423
7,17-dimethoxy-12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene
CID 135231094
7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane
CID 82666659
5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine
CID 57428877

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-1-benzothiophene?
The IUPAC name of 2,5-dimethoxy-1-benzothiophene (CID 69101358) is 2,5-dimethoxy-1-benzothiophene.
What is the SMILES notation for 2,5-dimethoxy-1-benzothiophene?
The canonical SMILES for 2,5-dimethoxy-1-benzothiophene is COc1ccc2sc(OC)cc2c1.
What is the InChIKey of 2,5-dimethoxy-1-benzothiophene?
The InChIKey is KBDDYKISKHAEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-11-8-3-4-9-7(5-8)6-10(12-2)13-9/h3-6H,1-2H3.
What are the key properties of 2,5-dimethoxy-1-benzothiophene?
2,5-dimethoxy-1-benzothiophene has a molecular weight of 194.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-1-benzothiophene is sourced from PubChem (CID 69101358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).