(Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one

C10H12O3 — CID 10375022

IUPAC(Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one
SMILESCC(=O)/C(=C(/C)O)c1ccc(C)o1
InChIInChI=1S/C10H12O3/c1-6-4-5-9(13-6)10(7(2)11)8(3)12/h4-5,11H,1-3H3/b10-7+
InChIKeyQUKQGISLFRZTPW-JXMROGBWSA-N
MW180.20 g/mol
LogP2.47
Rot. Bonds2

About (Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one

(Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one (PubChem CID 10375022) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one
PubChem CID10375022
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one
SMILESCC(=O)/C(=C(/C)O)c1ccc(C)o1
InChIInChI=1S/C10H12O3/c1-6-4-5-9(13-6)10(7(2)11)8(3)12/h4-5,11H,1-3H3/b10-7+
InChIKeyQUKQGISLFRZTPW-JXMROGBWSA-N
XLogP2.47
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

potassium 5-methylfuran-2-carboxylate
CID 90487955
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1-(5-methylfuran-2-yl)-2,2-diphenylethanone
CID 125472505
1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane
CID 144689486
1-(5-methylfuran-2-yl)-3-phenylpropan-1-one
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propan-2-yl 5-methylfuran-2-carboxylate
CID 60643123
3-chloro-1-(5-methylfuran-2-yl)propan-1-one
CID 116917885
(4-phenylphenyl) 5-methylfuran-2-carboxylate
CID 16552041
(2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 7612621
2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone
CID 114963390
3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one
CID 103309400

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one?
The IUPAC name of (Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one (CID 10375022) is (Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one?
The canonical SMILES for (Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one is CC(=O)/C(=C(/C)O)c1ccc(C)o1.
What is the InChIKey of (Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one?
The InChIKey is QUKQGISLFRZTPW-JXMROGBWSA-N. The full InChI is InChI=1S/C10H12O3/c1-6-4-5-9(13-6)10(7(2)11)8(3)12/h4-5,11H,1-3H3/b10-7+.
What are the key properties of (Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one?
(Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one has a molecular weight of 180.20 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one is sourced from PubChem (CID 10375022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).