ethane;2-(5-methylfuran-2-yl)ethanol

C9H16O2 — CID 142104864

IUPACethane;2-(5-methylfuran-2-yl)ethanol
SMILESCC.Cc1ccc(CCO)o1
InChIInChI=1S/C7H10O2.C2H6/c1-6-2-3-7(9-6)4-5-8;1-2/h2-3,8H,4-5H2,1H3;1-2H3
InChIKeySJNFGPBDLUCMOW-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.15
Rot. Bonds2

About ethane;2-(5-methylfuran-2-yl)ethanol

ethane;2-(5-methylfuran-2-yl)ethanol (PubChem CID 142104864) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is ethane;2-(5-methylfuran-2-yl)ethanol.

Molecular Properties

Compound Nameethane;2-(5-methylfuran-2-yl)ethanol
PubChem CID142104864
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Nameethane;2-(5-methylfuran-2-yl)ethanol
SMILESCC.Cc1ccc(CCO)o1
InChIInChI=1S/C7H10O2.C2H6/c1-6-2-3-7(9-6)4-5-8;1-2/h2-3,8H,4-5H2,1H3;1-2H3
InChIKeySJNFGPBDLUCMOW-UHFFFAOYSA-N
XLogP2.15
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(5-methylfuran-2-yl)ethylamino]ethanol
CID 115216331
azane;(5-methylfuran-2-yl)methanol
CID 175565780
1,11-bis(5-methylfuran-2-yl)undecane-3,6,9-trione
CID 71384501
3-(5-methylfuran-2-yl)propane-1-thiol
CID 83694727
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
2,5-dimethylfuran;ethanol
CID 160667580
2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
CID 119038953
cyclopropane;ethane;2-ethyl-5-methylfuran
CID 142234007
(3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol
CID 124706670
10-(5-methylfuran-2-yl)decane-2,5,8-trione
CID 154620502
2-(3-ethyl-3-methylpentyl)-5-methylfuran
CID 54437486
(2R)-2-methyl-3-(5-methylfuran-2-yl)propane-1,2-diol
CID 130626365

Frequently Asked Questions

What is the IUPAC name of ethane;2-(5-methylfuran-2-yl)ethanol?
The IUPAC name of ethane;2-(5-methylfuran-2-yl)ethanol (CID 142104864) is ethane;2-(5-methylfuran-2-yl)ethanol.
What is the SMILES notation for ethane;2-(5-methylfuran-2-yl)ethanol?
The canonical SMILES for ethane;2-(5-methylfuran-2-yl)ethanol is CC.Cc1ccc(CCO)o1.
What is the InChIKey of ethane;2-(5-methylfuran-2-yl)ethanol?
The InChIKey is SJNFGPBDLUCMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.C2H6/c1-6-2-3-7(9-6)4-5-8;1-2/h2-3,8H,4-5H2,1H3;1-2H3.
What are the key properties of ethane;2-(5-methylfuran-2-yl)ethanol?
ethane;2-(5-methylfuran-2-yl)ethanol has a molecular weight of 156.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(5-methylfuran-2-yl)ethanol is sourced from PubChem (CID 142104864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).