(2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol

C13H16O2S — CID 61099322

IUPAC(2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2cc(C)oc2C)s1
InChIInChI=1S/C13H16O2S/c1-4-10-5-6-12(16-10)13(14)11-7-8(2)15-9(11)3/h5-7,13-14H,4H2,1-3H3
InChIKeyYKPWXKFRPYWCQG-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.60
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol

(2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol (PubChem CID 61099322) has the molecular formula C13H16O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol
PubChem CID61099322
Molecular FormulaC13H16O2S
Molecular Weight236.34 g/mol
Exact Mass236.09
IUPAC Name(2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2cc(C)oc2C)s1
InChIInChI=1S/C13H16O2S/c1-4-10-5-6-12(16-10)13(14)11-7-8(2)15-9(11)3/h5-7,13-14H,4H2,1-3H3
InChIKeyYKPWXKFRPYWCQG-UHFFFAOYSA-N
XLogP3.60
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[bromo-(5-ethylthiophen-2-yl)methyl]-2,5-dimethylfuran
CID 63439268
(2,4-difluoro-5-methylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 79731435
(5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 90394992
(5-ethylthiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 63426088
(5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol
CID 61101728
(3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100003
3-(5-ethylthiophen-2-yl)butan-2-ol
CID 66436532
1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol
CID 114980726
(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol
CID 102842552
(5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol
CID 114723653
3-[bromo-(5-ethylthiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63440927
(5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol
CID 81432036

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol (CID 61099322) is (2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol is CCc1ccc(C(O)c2cc(C)oc2C)s1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol?
The InChIKey is YKPWXKFRPYWCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2S/c1-4-10-5-6-12(16-10)13(14)11-7-8(2)15-9(11)3/h5-7,13-14H,4H2,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol?
(2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol has a molecular weight of 236.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol is sourced from PubChem (CID 61099322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).