3-ethylfuran;methanol

C7H12O2 — CID 174626479

IUPAC3-ethylfuran;methanol
SMILESCCc1ccoc1.CO
InChIInChI=1S/C6H8O.CH4O/c1-2-6-3-4-7-5-6;1-2/h3-5H,2H2,1H3;2H,1H3
InChIKeyKISUHANMTVSQTG-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.45
Rot. Bonds1

About 3-ethylfuran;methanol

3-ethylfuran;methanol (PubChem CID 174626479) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-ethylfuran;methanol.

Molecular Properties

Compound Name3-ethylfuran;methanol
PubChem CID174626479
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-ethylfuran;methanol
SMILESCCc1ccoc1.CO
InChIInChI=1S/C6H8O.CH4O/c1-2-6-3-4-7-5-6;1-2/h3-5H,2H2,1H3;2H,1H3
InChIKeyKISUHANMTVSQTG-UHFFFAOYSA-N
XLogP1.45
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea
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4-(furan-3-yl)-3-methylbutan-2-ol
CID 83182885
1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone
CID 115795803
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1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
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Frequently Asked Questions

What is the IUPAC name of 3-ethylfuran;methanol?
The IUPAC name of 3-ethylfuran;methanol (CID 174626479) is 3-ethylfuran;methanol.
What is the SMILES notation for 3-ethylfuran;methanol?
The canonical SMILES for 3-ethylfuran;methanol is CCc1ccoc1.CO.
What is the InChIKey of 3-ethylfuran;methanol?
The InChIKey is KISUHANMTVSQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.CH4O/c1-2-6-3-4-7-5-6;1-2/h3-5H,2H2,1H3;2H,1H3.
What are the key properties of 3-ethylfuran;methanol?
3-ethylfuran;methanol has a molecular weight of 128.17 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylfuran;methanol is sourced from PubChem (CID 174626479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).