2,3-dihydro-1-benzofuran-2-yl-(5-ethylthiophen-2-yl)methanol

C15H16O2S — CID 61101558

IUPAC2,3-dihydro-1-benzofuran-2-yl-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)C2Cc3ccccc3O2)s1
InChIInChI=1S/C15H16O2S/c1-2-11-7-8-14(18-11)15(16)13-9-10-5-3-4-6-12(10)17-13/h3-8,13,15-16H,2,9H2,1H3
InChIKeyWXRXTKXZGCFIFC-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.35
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-2-yl-(5-ethylthiophen-2-yl)methanol

2,3-dihydro-1-benzofuran-2-yl-(5-ethylthiophen-2-yl)methanol (PubChem CID 61101558) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-yl-(5-ethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-yl-(5-ethylthiophen-2-yl)methanol
PubChem CID61101558
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name2,3-dihydro-1-benzofuran-2-yl-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)C2Cc3ccccc3O2)s1
InChIInChI=1S/C15H16O2S/c1-2-11-7-8-14(18-11)15(16)13-9-10-5-3-4-6-12(10)17-13/h3-8,13,15-16H,2,9H2,1H3
InChIKeyWXRXTKXZGCFIFC-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanol
CID 81330791
2,3-dihydro-1-benzofuran-2-yl-(2-propoxyphenyl)methanol
CID 104659715
N-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 104694894
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-ethylthiophen-2-yl)methanol
CID 79739303
(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 114645296
2-[bromo-(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63441694
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol
CID 104769223
2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83044772
N-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106892715
(2,5-difluorophenyl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 61100439
(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 61081025
1-(2,3-dihydro-1-benzofuran-2-yl)-3-ethylpentan-1-amine
CID 82922849

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-(5-ethylthiophen-2-yl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-(5-ethylthiophen-2-yl)methanol (CID 61101558) is 2,3-dihydro-1-benzofuran-2-yl-(5-ethylthiophen-2-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-yl-(5-ethylthiophen-2-yl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-yl-(5-ethylthiophen-2-yl)methanol is CCc1ccc(C(O)C2Cc3ccccc3O2)s1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-yl-(5-ethylthiophen-2-yl)methanol?
The InChIKey is WXRXTKXZGCFIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-2-11-7-8-14(18-11)15(16)13-9-10-5-3-4-6-12(10)17-13/h3-8,13,15-16H,2,9H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-2-yl-(5-ethylthiophen-2-yl)methanol?
2,3-dihydro-1-benzofuran-2-yl-(5-ethylthiophen-2-yl)methanol has a molecular weight of 260.36 g/mol, XLogP of 3.35, 3 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-2-yl-(5-ethylthiophen-2-yl)methanol is sourced from PubChem (CID 61101558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).