1-(5-methylfuran-2-yl)propan-1-ol

C8H12O2 — CID 14570731

IUPAC1-(5-methylfuran-2-yl)propan-1-ol
SMILESCCC(O)c1ccc(C)o1
InChIInChI=1S/C8H12O2/c1-3-7(9)8-5-4-6(2)10-8/h4-5,7,9H,3H2,1-2H3
InChIKeyQJZOGCHVKZBUBM-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.03
Rot. Bonds2

About 1-(5-methylfuran-2-yl)propan-1-ol

1-(5-methylfuran-2-yl)propan-1-ol (PubChem CID 14570731) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)propan-1-ol
PubChem CID14570731
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-(5-methylfuran-2-yl)propan-1-ol
SMILESCCC(O)c1ccc(C)o1
InChIInChI=1S/C8H12O2/c1-3-7(9)8-5-4-6(2)10-8/h4-5,7,9H,3H2,1-2H3
InChIKeyQJZOGCHVKZBUBM-UHFFFAOYSA-N
XLogP2.03
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methylfuran-2-yl)butane-1,4-diol
CID 116861366
4-amino-1-(5-methylfuran-2-yl)butan-1-ol
CID 82412823
(1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol
CID 125492717
1-(5-methanidylfuran-2-yl)propan-1-ol;yttrium
CID 161456522
(2S)-2-(5-methylfuran-2-yl)butan-1-ol
CID 58330576
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol
CID 115646640
N,N-dimethyl-1-(5-methylfuran-2-yl)propan-1-amine
CID 145352645
2,5-dimethylfuran;ethanol
CID 160667580
2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol
CID 63016605
2-(1-ethoxypropan-2-ylamino)-1-(5-methylfuran-2-yl)ethanol
CID 115723342
3-amino-2-(5-methylfuran-2-yl)propan-1-ol
CID 83682054

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)propan-1-ol?
The IUPAC name of 1-(5-methylfuran-2-yl)propan-1-ol (CID 14570731) is 1-(5-methylfuran-2-yl)propan-1-ol.
What is the SMILES notation for 1-(5-methylfuran-2-yl)propan-1-ol?
The canonical SMILES for 1-(5-methylfuran-2-yl)propan-1-ol is CCC(O)c1ccc(C)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)propan-1-ol?
The InChIKey is QJZOGCHVKZBUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-7(9)8-5-4-6(2)10-8/h4-5,7,9H,3H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)propan-1-ol?
1-(5-methylfuran-2-yl)propan-1-ol has a molecular weight of 140.18 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)propan-1-ol is sourced from PubChem (CID 14570731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).