4-[2-(furan-2-yl)ethyl]benzene-1,3-diol

C12H12O3 — CID 44611840

IUPAC4-[2-(furan-2-yl)ethyl]benzene-1,3-diol
SMILESOc1ccc(CCc2ccco2)c(O)c1
InChIInChI=1S/C12H12O3/c13-10-5-3-9(12(14)8-10)4-6-11-2-1-7-15-11/h1-3,5,7-8,13-14H,4,6H2
InChIKeyDRPCFXFFIMCRRN-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.48
Rot. Bonds3

About 4-[2-(furan-2-yl)ethyl]benzene-1,3-diol

4-[2-(furan-2-yl)ethyl]benzene-1,3-diol (PubChem CID 44611840) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(furan-2-yl)ethyl]benzene-1,3-diol
PubChem CID44611840
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name4-[2-(furan-2-yl)ethyl]benzene-1,3-diol
SMILESOc1ccc(CCc2ccco2)c(O)c1
InChIInChI=1S/C12H12O3/c13-10-5-3-9(12(14)8-10)4-6-11-2-1-7-15-11/h1-3,5,7-8,13-14H,4,6H2
InChIKeyDRPCFXFFIMCRRN-UHFFFAOYSA-N
XLogP2.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)ethyl]benzene-1,3-diol?
The IUPAC name of 4-[2-(furan-2-yl)ethyl]benzene-1,3-diol (CID 44611840) is 4-[2-(furan-2-yl)ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(furan-2-yl)ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(furan-2-yl)ethyl]benzene-1,3-diol is Oc1ccc(CCc2ccco2)c(O)c1.
What is the InChIKey of 4-[2-(furan-2-yl)ethyl]benzene-1,3-diol?
The InChIKey is DRPCFXFFIMCRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c13-10-5-3-9(12(14)8-10)4-6-11-2-1-7-15-11/h1-3,5,7-8,13-14H,4,6H2.
What are the key properties of 4-[2-(furan-2-yl)ethyl]benzene-1,3-diol?
4-[2-(furan-2-yl)ethyl]benzene-1,3-diol has a molecular weight of 204.23 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)ethyl]benzene-1,3-diol is sourced from PubChem (CID 44611840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).