(1S)-1-(furan-3-yl)butane-1,4-diol

C8H12O3 — CID 129362358

IUPAC(1S)-1-(furan-3-yl)butane-1,4-diol
SMILESOCCC[C@H](O)c1ccoc1
InChIInChI=1S/C8H12O3/c9-4-1-2-8(10)7-3-5-11-6-7/h3,5-6,8-10H,1-2,4H2/t8-/m0/s1
InChIKeyOTLGPIBBVWUOAZ-QMMMGPOBSA-N
MW156.18 g/mol
LogP1.09
Rot. Bonds4

About (1S)-1-(furan-3-yl)butane-1,4-diol

(1S)-1-(furan-3-yl)butane-1,4-diol (PubChem CID 129362358) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (1S)-1-(furan-3-yl)butane-1,4-diol.

Molecular Properties

Compound Name(1S)-1-(furan-3-yl)butane-1,4-diol
PubChem CID129362358
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(1S)-1-(furan-3-yl)butane-1,4-diol
SMILESOCCC[C@H](O)c1ccoc1
InChIInChI=1S/C8H12O3/c9-4-1-2-8(10)7-3-5-11-6-7/h3,5-6,8-10H,1-2,4H2/t8-/m0/s1
InChIKeyOTLGPIBBVWUOAZ-QMMMGPOBSA-N
XLogP1.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(furan-3-yl)propane-1,3-diol
CID 124583240
4-chloro-1-(furan-3-yl)butan-1-ol
CID 66045175
(1R)-3-chloro-1-(furan-3-yl)propan-1-ol
CID 55298538
1-(furan-3-yl)nonadecan-1-ol
CID 10712867
4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol
CID 64567375
1,2-bis(furan-3-yl)ethanol
CID 83172033
CID 134942666
CID 134942666
1-(furan-3-yl)but-3-yn-1-ol
CID 11252037
1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol
CID 105097163
(1R)-1-(4-hydroxyphenyl)butane-1,4-diol
CID 23836266
(1S)-1-(furan-3-yl)pent-3-yn-1-ol
CID 11321039
1-(furan-3-yl)-3-pyridin-3-ylpropan-1-ol
CID 105097267

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-3-yl)butane-1,4-diol?
The IUPAC name of (1S)-1-(furan-3-yl)butane-1,4-diol (CID 129362358) is (1S)-1-(furan-3-yl)butane-1,4-diol.
What is the SMILES notation for (1S)-1-(furan-3-yl)butane-1,4-diol?
The canonical SMILES for (1S)-1-(furan-3-yl)butane-1,4-diol is OCCC[C@H](O)c1ccoc1.
What is the InChIKey of (1S)-1-(furan-3-yl)butane-1,4-diol?
The InChIKey is OTLGPIBBVWUOAZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12O3/c9-4-1-2-8(10)7-3-5-11-6-7/h3,5-6,8-10H,1-2,4H2/t8-/m0/s1.
What are the key properties of (1S)-1-(furan-3-yl)butane-1,4-diol?
(1S)-1-(furan-3-yl)butane-1,4-diol has a molecular weight of 156.18 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-3-yl)butane-1,4-diol is sourced from PubChem (CID 129362358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).