(E)-6-(furan-2-yl)-4-hydroxy-3-methylidenehex-5-en-2-one

C11H12O3 — CID 24867790

IUPAC(E)-6-(furan-2-yl)-4-hydroxy-3-methylidenehex-5-en-2-one
SMILESC=C(C(C)=O)C(O)/C=C/c1ccco1
InChIInChI=1S/C11H12O3/c1-8(9(2)12)11(13)6-5-10-4-3-7-14-10/h3-7,11,13H,1H2,2H3/b6-5+
InChIKeyBQJAVQDLRJSWFQ-AATRIKPKSA-N
MW192.21 g/mol
LogP1.80
Rot. Bonds4

About (E)-6-(furan-2-yl)-4-hydroxy-3-methylidenehex-5-en-2-one

(E)-6-(furan-2-yl)-4-hydroxy-3-methylidenehex-5-en-2-one (PubChem CID 24867790) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (E)-6-(furan-2-yl)-4-hydroxy-3-methylidenehex-5-en-2-one.

Molecular Properties

Compound Name(E)-6-(furan-2-yl)-4-hydroxy-3-methylidenehex-5-en-2-one
PubChem CID24867790
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(E)-6-(furan-2-yl)-4-hydroxy-3-methylidenehex-5-en-2-one
SMILESC=C(C(C)=O)C(O)/C=C/c1ccco1
InChIInChI=1S/C11H12O3/c1-8(9(2)12)11(13)6-5-10-4-3-7-14-10/h3-7,11,13H,1H2,2H3/b6-5+
InChIKeyBQJAVQDLRJSWFQ-AATRIKPKSA-N
XLogP1.80
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6-(furan-2-yl)-4-hydroxy-3-methylidenehex-5-en-2-one?
The IUPAC name of (E)-6-(furan-2-yl)-4-hydroxy-3-methylidenehex-5-en-2-one (CID 24867790) is (E)-6-(furan-2-yl)-4-hydroxy-3-methylidenehex-5-en-2-one.
What is the SMILES notation for (E)-6-(furan-2-yl)-4-hydroxy-3-methylidenehex-5-en-2-one?
The canonical SMILES for (E)-6-(furan-2-yl)-4-hydroxy-3-methylidenehex-5-en-2-one is C=C(C(C)=O)C(O)/C=C/c1ccco1.
What is the InChIKey of (E)-6-(furan-2-yl)-4-hydroxy-3-methylidenehex-5-en-2-one?
The InChIKey is BQJAVQDLRJSWFQ-AATRIKPKSA-N. The full InChI is InChI=1S/C11H12O3/c1-8(9(2)12)11(13)6-5-10-4-3-7-14-10/h3-7,11,13H,1H2,2H3/b6-5+.
What are the key properties of (E)-6-(furan-2-yl)-4-hydroxy-3-methylidenehex-5-en-2-one?
(E)-6-(furan-2-yl)-4-hydroxy-3-methylidenehex-5-en-2-one has a molecular weight of 192.21 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(furan-2-yl)-4-hydroxy-3-methylidenehex-5-en-2-one is sourced from PubChem (CID 24867790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).