2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanol

C15H12O2S2 — CID 80746102

IUPAC2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanol
SMILESOC(c1ccc2c(c1)CCO2)c1cc2sccc2s1
InChIInChI=1S/C15H12O2S2/c16-15(14-8-13-12(19-14)4-6-18-13)10-1-2-11-9(7-10)3-5-17-11/h1-2,4,6-8,15-16H,3,5H2
InChIKeyMLTPMDBOEDIGTL-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.98
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanol

2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanol (PubChem CID 80746102) has the molecular formula C15H12O2S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanol
PubChem CID80746102
Molecular FormulaC15H12O2S2
Molecular Weight288.39 g/mol
Exact Mass288.03
IUPAC Name2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanol
SMILESOC(c1ccc2c(c1)CCO2)c1cc2sccc2s1
InChIInChI=1S/C15H12O2S2/c16-15(14-8-13-12(19-14)4-6-18-13)10-1-2-11-9(7-10)3-5-17-11/h1-2,4,6-8,15-16H,3,5H2
InChIKeyMLTPMDBOEDIGTL-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine
CID 80733287
6-[bromo(thieno[3,2-b]thiophen-5-yl)methyl]-3,4-dihydro-2H-chromene
CID 80739025
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
CID 61099414
(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100429
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 61100594
7-[bromo(thieno[3,2-b]thiophen-5-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 80739008
(3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 65278850
2,3-dihydro-1-benzofuran-5-yl-(3-methylphenyl)methanol
CID 61100251
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 104542171
(S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine
CID 171202497
2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol
CID 61100080

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanol (CID 80746102) is 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanol is OC(c1ccc2c(c1)CCO2)c1cc2sccc2s1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanol?
The InChIKey is MLTPMDBOEDIGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2S2/c16-15(14-8-13-12(19-14)4-6-18-13)10-1-2-11-9(7-10)3-5-17-11/h1-2,4,6-8,15-16H,3,5H2.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanol?
2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanol has a molecular weight of 288.39 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanol is sourced from PubChem (CID 80746102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).