4-(furan-3-ylmethyl)benzene-1,3-diol

C11H10O3 — CID 44611570

IUPAC4-(furan-3-ylmethyl)benzene-1,3-diol
SMILESOc1ccc(Cc2ccoc2)c(O)c1
InChIInChI=1S/C11H10O3/c12-10-2-1-9(11(13)6-10)5-8-3-4-14-7-8/h1-4,6-7,12-13H,5H2
InChIKeyLOAGBHXAWVQEGF-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.28
Rot. Bonds2

About 4-(furan-3-ylmethyl)benzene-1,3-diol

4-(furan-3-ylmethyl)benzene-1,3-diol (PubChem CID 44611570) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-(furan-3-ylmethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(furan-3-ylmethyl)benzene-1,3-diol
PubChem CID44611570
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name4-(furan-3-ylmethyl)benzene-1,3-diol
SMILESOc1ccc(Cc2ccoc2)c(O)c1
InChIInChI=1S/C11H10O3/c12-10-2-1-9(11(13)6-10)5-8-3-4-14-7-8/h1-4,6-7,12-13H,5H2
InChIKeyLOAGBHXAWVQEGF-UHFFFAOYSA-N
XLogP2.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-ylmethyl)benzene-1,3-diol?
The IUPAC name of 4-(furan-3-ylmethyl)benzene-1,3-diol (CID 44611570) is 4-(furan-3-ylmethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(furan-3-ylmethyl)benzene-1,3-diol?
The canonical SMILES for 4-(furan-3-ylmethyl)benzene-1,3-diol is Oc1ccc(Cc2ccoc2)c(O)c1.
What is the InChIKey of 4-(furan-3-ylmethyl)benzene-1,3-diol?
The InChIKey is LOAGBHXAWVQEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-10-2-1-9(11(13)6-10)5-8-3-4-14-7-8/h1-4,6-7,12-13H,5H2.
What are the key properties of 4-(furan-3-ylmethyl)benzene-1,3-diol?
4-(furan-3-ylmethyl)benzene-1,3-diol has a molecular weight of 190.20 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-ylmethyl)benzene-1,3-diol is sourced from PubChem (CID 44611570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).