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

C11H18O3 — CID 115818822

IUPAC1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol
SMILESCCCOCC(O)c1cc(C)oc1C
InChIInChI=1S/C11H18O3/c1-4-5-13-7-11(12)10-6-8(2)14-9(10)3/h6,11-12H,4-5,7H2,1-3H3
InChIKeyZWJKKLCNOZLQEG-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.36
Rot. Bonds5

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

1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol (PubChem CID 115818822) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol
PubChem CID115818822
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol
SMILESCCCOCC(O)c1cc(C)oc1C
InChIInChI=1S/C11H18O3/c1-4-5-13-7-11(12)10-6-8(2)14-9(10)3/h6,11-12H,4-5,7H2,1-3H3
InChIKeyZWJKKLCNOZLQEG-UHFFFAOYSA-N
XLogP2.36
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol
CID 115818657
1-(2,5-dimethylfuran-3-yl)pentan-1-ol
CID 115783226
1-(4-methoxy-2-methylphenyl)-2-propoxyethanol
CID 65313194
1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol
CID 114980726
1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol
CID 105111921
1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol
CID 55233858
1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 81304349
1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol
CID 105111964
1-(5-methyl-3-pyridinyl)-2-propoxyethanol
CID 115374102
(1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine
CID 130739107
1-(3-bromo-2-methylphenyl)-2-propoxyethanol
CID 115818912
1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethanol
CID 106881025

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol (CID 115818822) is 1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol is CCCOCC(O)c1cc(C)oc1C.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol?
The InChIKey is ZWJKKLCNOZLQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-5-13-7-11(12)10-6-8(2)14-9(10)3/h6,11-12H,4-5,7H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol?
1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol has a molecular weight of 198.26 g/mol, XLogP of 2.36, 5 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-propoxyethanol is sourced from PubChem (CID 115818822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).