1-(furan-3-yl)pentane-1,4-diol

C9H14O3 — CID 13186539

IUPAC1-(furan-3-yl)pentane-1,4-diol
SMILESCC(O)CCC(O)c1ccoc1
InChIInChI=1S/C9H14O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-7,9-11H,2-3H2,1H3
InChIKeyAORCXYMSPVAQIZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.47
Rot. Bonds4

About 1-(furan-3-yl)pentane-1,4-diol

1-(furan-3-yl)pentane-1,4-diol (PubChem CID 13186539) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-(furan-3-yl)pentane-1,4-diol.

Molecular Properties

Compound Name1-(furan-3-yl)pentane-1,4-diol
PubChem CID13186539
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1-(furan-3-yl)pentane-1,4-diol
SMILESCC(O)CCC(O)c1ccoc1
InChIInChI=1S/C9H14O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-7,9-11H,2-3H2,1H3
InChIKeyAORCXYMSPVAQIZ-UHFFFAOYSA-N
XLogP1.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)pentane-1,4-diol?
The IUPAC name of 1-(furan-3-yl)pentane-1,4-diol (CID 13186539) is 1-(furan-3-yl)pentane-1,4-diol.
What is the SMILES notation for 1-(furan-3-yl)pentane-1,4-diol?
The canonical SMILES for 1-(furan-3-yl)pentane-1,4-diol is CC(O)CCC(O)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)pentane-1,4-diol?
The InChIKey is AORCXYMSPVAQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-7,9-11H,2-3H2,1H3.
What are the key properties of 1-(furan-3-yl)pentane-1,4-diol?
1-(furan-3-yl)pentane-1,4-diol has a molecular weight of 170.21 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)pentane-1,4-diol is sourced from PubChem (CID 13186539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).