(2S)-3-(furan-2-yl)butan-2-ol

C8H12O2 — CID 139247548

IUPAC(2S)-3-(furan-2-yl)butan-2-ol
SMILESCC(c1ccco1)[C@H](C)O
InChIInChI=1S/C8H12O2/c1-6(7(2)9)8-4-3-5-10-8/h3-7,9H,1-2H3/t6?,7-/m0/s1
InChIKeyDMEIXJPDXZVIPZ-MLWJPKLSSA-N
MW140.18 g/mol
LogP1.76
Rot. Bonds2

About (2S)-3-(furan-2-yl)butan-2-ol

(2S)-3-(furan-2-yl)butan-2-ol (PubChem CID 139247548) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (2S)-3-(furan-2-yl)butan-2-ol.

Molecular Properties

Compound Name(2S)-3-(furan-2-yl)butan-2-ol
PubChem CID139247548
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(2S)-3-(furan-2-yl)butan-2-ol
SMILESCC(c1ccco1)[C@H](C)O
InChIInChI=1S/C8H12O2/c1-6(7(2)9)8-4-3-5-10-8/h3-7,9H,1-2H3/t6?,7-/m0/s1
InChIKeyDMEIXJPDXZVIPZ-MLWJPKLSSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ipomeanol
CID 36284
2-Pentylfuran
CID 19602
2-Butylfuran
CID 20534
2-Heptylfuran
CID 19603
Furfuryl methyl ketone
CID 228583
2-Propylfuran
CID 77907
4-(2-Furyl)-2-butanone
CID 12780
3-(5-Methyl-2-furyl)butanal
CID 3578033
2-Decylfuran
CID 12762300
2-Octylfuran
CID 77845
3-Methyl-2-(3-methylbut-2-enyl)-furan
CID 84825
2-Hexylfuran
CID 77408

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(furan-2-yl)butan-2-ol?
The IUPAC name of (2S)-3-(furan-2-yl)butan-2-ol (CID 139247548) is (2S)-3-(furan-2-yl)butan-2-ol.
What is the SMILES notation for (2S)-3-(furan-2-yl)butan-2-ol?
The canonical SMILES for (2S)-3-(furan-2-yl)butan-2-ol is CC(c1ccco1)[C@H](C)O.
What is the InChIKey of (2S)-3-(furan-2-yl)butan-2-ol?
The InChIKey is DMEIXJPDXZVIPZ-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(7(2)9)8-4-3-5-10-8/h3-7,9H,1-2H3/t6?,7-/m0/s1.
What are the key properties of (2S)-3-(furan-2-yl)butan-2-ol?
(2S)-3-(furan-2-yl)butan-2-ol has a molecular weight of 140.18 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(furan-2-yl)butan-2-ol is sourced from PubChem (CID 139247548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).