2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol

C13H12O2S — CID 114743275

IUPAC2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol
SMILESOC(c1ccsc1)c1cccc2c1OCC2
InChIInChI=1S/C13H12O2S/c14-12(10-5-7-16-8-10)11-3-1-2-9-4-6-15-13(9)11/h1-3,5,7-8,12,14H,4,6H2
InChIKeyDMCHUNUDHVEXJI-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.76
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol

2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol (PubChem CID 114743275) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol
PubChem CID114743275
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol
SMILESOC(c1ccsc1)c1cccc2c1OCC2
InChIInChI=1S/C13H12O2S/c14-12(10-5-7-16-8-10)11-3-1-2-9-4-6-15-13(9)11/h1-3,5,7-8,12,14H,4,6H2
InChIKeyDMCHUNUDHVEXJI-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine
CID 114744888
2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 115838905
2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol
CID 115838946
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol
CID 114743236
(7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743283
2,3-dihydro-1-benzofuran-7-yl(naphthalen-1-yl)methanol
CID 114743291
(3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 115838948
1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol
CID 105130684
N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine
CID 114744967
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol (CID 114743275) is 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol is OC(c1ccsc1)c1cccc2c1OCC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol?
The InChIKey is DMCHUNUDHVEXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c14-12(10-5-7-16-8-10)11-3-1-2-9-4-6-15-13(9)11/h1-3,5,7-8,12,14H,4,6H2.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol?
2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol has a molecular weight of 232.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol is sourced from PubChem (CID 114743275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).