2-[1-(furan-3-yl)ethyl]benzene-1,3-diol

C12H12O3 — CID 174946883

IUPAC2-[1-(furan-3-yl)ethyl]benzene-1,3-diol
SMILESCC(c1ccoc1)c1c(O)cccc1O
InChIInChI=1S/C12H12O3/c1-8(9-5-6-15-7-9)12-10(13)3-2-4-11(12)14/h2-8,13-14H,1H3
InChIKeyVOILWMURJJFGGO-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.84
Rot. Bonds2

About 2-[1-(furan-3-yl)ethyl]benzene-1,3-diol

2-[1-(furan-3-yl)ethyl]benzene-1,3-diol (PubChem CID 174946883) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[1-(furan-3-yl)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-(furan-3-yl)ethyl]benzene-1,3-diol
PubChem CID174946883
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name2-[1-(furan-3-yl)ethyl]benzene-1,3-diol
SMILESCC(c1ccoc1)c1c(O)cccc1O
InChIInChI=1S/C12H12O3/c1-8(9-5-6-15-7-9)12-10(13)3-2-4-11(12)14/h2-8,13-14H,1H3
InChIKeyVOILWMURJJFGGO-UHFFFAOYSA-N
XLogP2.84
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-3-yl)ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-(furan-3-yl)ethyl]benzene-1,3-diol (CID 174946883) is 2-[1-(furan-3-yl)ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-(furan-3-yl)ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-(furan-3-yl)ethyl]benzene-1,3-diol is CC(c1ccoc1)c1c(O)cccc1O.
What is the InChIKey of 2-[1-(furan-3-yl)ethyl]benzene-1,3-diol?
The InChIKey is VOILWMURJJFGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-8(9-5-6-15-7-9)12-10(13)3-2-4-11(12)14/h2-8,13-14H,1H3.
What are the key properties of 2-[1-(furan-3-yl)ethyl]benzene-1,3-diol?
2-[1-(furan-3-yl)ethyl]benzene-1,3-diol has a molecular weight of 204.23 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-3-yl)ethyl]benzene-1,3-diol is sourced from PubChem (CID 174946883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).