5-(1-benzothiophen-5-yl)-1,3-benzodioxole

C15H10O2S — CID 163567216

IUPAC5-(1-benzothiophen-5-yl)-1,3-benzodioxole
SMILESc1cc2cc(-c3ccc4c(c3)OCO4)ccc2s1
InChIInChI=1S/C15H10O2S/c1-3-13-14(17-9-16-13)8-11(1)10-2-4-15-12(7-10)5-6-18-15/h1-8H,9H2
InChIKeyFWFQDCRRFBGDEP-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.30
Rot. Bonds1

About 5-(1-benzothiophen-5-yl)-1,3-benzodioxole

5-(1-benzothiophen-5-yl)-1,3-benzodioxole (PubChem CID 163567216) has the molecular formula C15H10O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-(1-benzothiophen-5-yl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(1-benzothiophen-5-yl)-1,3-benzodioxole
PubChem CID163567216
Molecular FormulaC15H10O2S
Molecular Weight254.31 g/mol
Exact Mass254.04
IUPAC Name5-(1-benzothiophen-5-yl)-1,3-benzodioxole
SMILESc1cc2cc(-c3ccc4c(c3)OCO4)ccc2s1
InChIInChI=1S/C15H10O2S/c1-3-13-14(17-9-16-13)8-11(1)10-2-4-15-12(7-10)5-6-18-15/h1-8H,9H2
InChIKeyFWFQDCRRFBGDEP-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-naphthalen-2-yl-1-benzothiophene
CID 101067943
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159
4-(1,3-benzodioxol-5-yl)benzene-1,2-diol
CID 141023999
4-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
CID 22478061
2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole
CID 116892273
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol
CID 116889740
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
4-(1-benzothiophen-5-yl)-1H-pyrazole
CID 67417702
2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole
CID 116891760
6-(1-benzothiophen-5-yl)-3,4-dihydroisoquinoline
CID 175935426
2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde
CID 50990810

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-5-yl)-1,3-benzodioxole?
The IUPAC name of 5-(1-benzothiophen-5-yl)-1,3-benzodioxole (CID 163567216) is 5-(1-benzothiophen-5-yl)-1,3-benzodioxole.
What is the SMILES notation for 5-(1-benzothiophen-5-yl)-1,3-benzodioxole?
The canonical SMILES for 5-(1-benzothiophen-5-yl)-1,3-benzodioxole is c1cc2cc(-c3ccc4c(c3)OCO4)ccc2s1.
What is the InChIKey of 5-(1-benzothiophen-5-yl)-1,3-benzodioxole?
The InChIKey is FWFQDCRRFBGDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2S/c1-3-13-14(17-9-16-13)8-11(1)10-2-4-15-12(7-10)5-6-18-15/h1-8H,9H2.
What are the key properties of 5-(1-benzothiophen-5-yl)-1,3-benzodioxole?
5-(1-benzothiophen-5-yl)-1,3-benzodioxole has a molecular weight of 254.31 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-5-yl)-1,3-benzodioxole is sourced from PubChem (CID 163567216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).