1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol

C10H16O3 — CID 115818657

IUPAC1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol
SMILESCCOCC(O)c1cc(C)oc1C
InChIInChI=1S/C10H16O3/c1-4-12-6-10(11)9-5-7(2)13-8(9)3/h5,10-11H,4,6H2,1-3H3
InChIKeyAOMWWTRXFBHMMV-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.97
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol

1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol (PubChem CID 115818657) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol
PubChem CID115818657
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol
SMILESCCOCC(O)c1cc(C)oc1C
InChIInChI=1S/C10H16O3/c1-4-12-6-10(11)9-5-7(2)13-8(9)3/h5,10-11H,4,6H2,1-3H3
InChIKeyAOMWWTRXFBHMMV-UHFFFAOYSA-N
XLogP1.97
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol
CID 115818822
1-(2,5-dimethylfuran-3-yl)pentan-1-ol
CID 115783226
1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol
CID 114980726
1-(2,5-dimethylfuran-3-yl)-4-methylpent-4-en-1-ol
CID 115834380
2-ethoxy-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105111769
1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782163
1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803168
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide
CID 121133006
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide
CID 121133019
1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol
CID 115789569
1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol
CID 115791080
1-(3-chloro-5-methylphenyl)-2-ethoxyethanol
CID 115818780

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol (CID 115818657) is 1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol is CCOCC(O)c1cc(C)oc1C.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol?
The InChIKey is AOMWWTRXFBHMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-12-6-10(11)9-5-7(2)13-8(9)3/h5,10-11H,4,6H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol?
1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol has a molecular weight of 184.23 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol is sourced from PubChem (CID 115818657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).