5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one

C10H10O3 — CID 658692

IUPAC5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one
SMILESO=C1C=C(O)CC(c2ccco2)C1
InChIInChI=1S/C10H10O3/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h1-3,6-7,11H,4-5H2
InChIKeyOGXKVFJEAZMLBE-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.17
Rot. Bonds1

About 5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one

5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one (PubChem CID 658692) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one
PubChem CID658692
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one
SMILESO=C1C=C(O)CC(c2ccco2)C1
InChIInChI=1S/C10H10O3/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h1-3,6-7,11H,4-5H2
InChIKeyOGXKVFJEAZMLBE-UHFFFAOYSA-N
XLogP2.17
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one?
The IUPAC name of 5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one (CID 658692) is 5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for 5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one?
The canonical SMILES for 5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one is O=C1C=C(O)CC(c2ccco2)C1.
What is the InChIKey of 5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one?
The InChIKey is OGXKVFJEAZMLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h1-3,6-7,11H,4-5H2.
What are the key properties of 5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one?
5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one has a molecular weight of 178.19 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 658692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).