(Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one

C13H16O5 — CID 10857946

IUPAC(Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one
SMILESCCC(=O)/C=C(\O)c1c(O)cc(OC)cc1OC
InChIInChI=1S/C13H16O5/c1-4-8(14)5-10(15)13-11(16)6-9(17-2)7-12(13)18-3/h5-7,15-16H,4H2,1-3H3/b10-5-
InChIKeyJZENGWZQSBWHBP-YHYXMXQVSA-N
MW252.27 g/mol
LogP2.29
Rot. Bonds5

About (Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one

(Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one (PubChem CID 10857946) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is (Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one
PubChem CID10857946
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name(Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one
SMILESCCC(=O)/C=C(\O)c1c(O)cc(OC)cc1OC
InChIInChI=1S/C13H16O5/c1-4-8(14)5-10(15)13-11(16)6-9(17-2)7-12(13)18-3/h5-7,15-16H,4H2,1-3H3/b10-5-
InChIKeyJZENGWZQSBWHBP-YHYXMXQVSA-N
XLogP2.29
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol
CID 102473199
3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
CID 10955251
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 70696711
1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone
CID 102233436
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)propane-1,3-dione
CID 90718650
3-(2-ethylphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
CID 162819524
3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one
CID 13359570
2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde
CID 7578619
2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
CID 1268029
(2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone
CID 72947607
(2,6-dihydroxy-4-methoxyphenyl)-(4-hydroxy-2-methoxy-6-methylphenyl)methanone
CID 23757122
1-(2-hydroxy-4,6-dimethoxyphenyl)-2,2-dimethoxy-3-(4-methoxyphenyl)propan-1-one
CID 606999

Frequently Asked Questions

What is the IUPAC name of (Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one?
The IUPAC name of (Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one (CID 10857946) is (Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one.
What is the SMILES notation for (Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one?
The canonical SMILES for (Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one is CCC(=O)/C=C(\O)c1c(O)cc(OC)cc1OC.
What is the InChIKey of (Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one?
The InChIKey is JZENGWZQSBWHBP-YHYXMXQVSA-N. The full InChI is InChI=1S/C13H16O5/c1-4-8(14)5-10(15)13-11(16)6-9(17-2)7-12(13)18-3/h5-7,15-16H,4H2,1-3H3/b10-5-.
What are the key properties of (Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one?
(Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one has a molecular weight of 252.27 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one is sourced from PubChem (CID 10857946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).