(2S)-2-(5-methylfuran-2-yl)butan-1-ol

C9H14O2 — CID 58330576

IUPAC(2S)-2-(5-methylfuran-2-yl)butan-1-ol
SMILESCC[C@@H](CO)c1ccc(C)o1
InChIInChI=1S/C9H14O2/c1-3-8(6-10)9-5-4-7(2)11-9/h4-5,8,10H,3,6H2,1-2H3/t8-/m0/s1
InChIKeyHDESVZWFQBQNAX-QMMMGPOBSA-N
MW154.21 g/mol
LogP2.07
Rot. Bonds3

About (2S)-2-(5-methylfuran-2-yl)butan-1-ol

(2S)-2-(5-methylfuran-2-yl)butan-1-ol (PubChem CID 58330576) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2S)-2-(5-methylfuran-2-yl)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-(5-methylfuran-2-yl)butan-1-ol
PubChem CID58330576
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2S)-2-(5-methylfuran-2-yl)butan-1-ol
SMILESCC[C@@H](CO)c1ccc(C)o1
InChIInChI=1S/C9H14O2/c1-3-8(6-10)9-5-4-7(2)11-9/h4-5,8,10H,3,6H2,1-2H3/t8-/m0/s1
InChIKeyHDESVZWFQBQNAX-QMMMGPOBSA-N
XLogP2.07
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(5-methylfuran-2-yl)propan-1-ol
CID 83682054
1-(5-methylfuran-2-yl)propan-1-ol
CID 14570731
2,5-dimethylfuran;ethanol
CID 160667580
2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
CID 43207118
2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol
CID 117240483
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
4-amino-3-(5-methylfuran-2-yl)hexan-1-ol
CID 66091484
N,N-dimethyl-1-(5-methylfuran-2-yl)propan-1-amine
CID 145352645
2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol
CID 67128601
2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol
CID 116860282
1-(5-methylfuran-2-yl)butane-1,4-diol
CID 116861366
2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol
CID 116911635

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methylfuran-2-yl)butan-1-ol?
The IUPAC name of (2S)-2-(5-methylfuran-2-yl)butan-1-ol (CID 58330576) is (2S)-2-(5-methylfuran-2-yl)butan-1-ol.
What is the SMILES notation for (2S)-2-(5-methylfuran-2-yl)butan-1-ol?
The canonical SMILES for (2S)-2-(5-methylfuran-2-yl)butan-1-ol is CC[C@@H](CO)c1ccc(C)o1.
What is the InChIKey of (2S)-2-(5-methylfuran-2-yl)butan-1-ol?
The InChIKey is HDESVZWFQBQNAX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-8(6-10)9-5-4-7(2)11-9/h4-5,8,10H,3,6H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-(5-methylfuran-2-yl)butan-1-ol?
(2S)-2-(5-methylfuran-2-yl)butan-1-ol has a molecular weight of 154.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methylfuran-2-yl)butan-1-ol is sourced from PubChem (CID 58330576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).