(5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one

C8H8O5 — CID 11183026

IUPAC(5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one
SMILESCOC1=C(O)C(=O)O/C1=C\C(C)=O
InChIInChI=1S/C8H8O5/c1-4(9)3-5-7(12-2)6(10)8(11)13-5/h3,10H,1-2H3/b5-3-
InChIKeyYPCUGBOBQQCILU-HYXAFXHYSA-N
MW184.15 g/mol
LogP0.43
Rot. Bonds2

About (5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one

(5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one (PubChem CID 11183026) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is (5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one.

Molecular Properties

Compound Name(5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one
PubChem CID11183026
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name(5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one
SMILESCOC1=C(O)C(=O)O/C1=C\C(C)=O
InChIInChI=1S/C8H8O5/c1-4(9)3-5-7(12-2)6(10)8(11)13-5/h3,10H,1-2H3/b5-3-
InChIKeyYPCUGBOBQQCILU-HYXAFXHYSA-N
XLogP0.43
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Xanthofusin
CID 54697199
4-Hydroxy-3-methyl-5-(2-oxopropylidene)furan-2-one
CID 76173461
Ethyl 2-hydroxy-4-oxopent-2-enoate
CID 5325621
methyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate
CID 101032163
5-ethylidene-3-hydroxy-4-methylfuran-2(5H)-one
CID 6432881
6-(ethoxycarbonyl)-4-oxo-4H-pyran-2-carboxylic acid
CID 13082032
ethyl (2Z)-2-(4-hydroxy-5-oxo-3-prop-2-enylfuran-2-ylidene)acetate
CID 54695781
ethyl (2E)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate
CID 54707019
methyl (2Z)-4-hydroxy-5-oxo-2-(2-oxopropylidene)furan-3-carboxylate
CID 101066219
methyl (2E)-2-(4-hydroxy-5-oxofuran-2-ylidene)-3-oxobutanoate
CID 101066226
methyl (2Z)-2-hydroxy-4-oxopent-2-enoate
CID 6917290
2-Pentenoic acid, 2-hydroxy-4-oxo-, methyl ester
CID 7061615

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one?
The IUPAC name of (5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one (CID 11183026) is (5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one.
What is the SMILES notation for (5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one?
The canonical SMILES for (5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one is COC1=C(O)C(=O)O/C1=C\C(C)=O.
What is the InChIKey of (5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one?
The InChIKey is YPCUGBOBQQCILU-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H8O5/c1-4(9)3-5-7(12-2)6(10)8(11)13-5/h3,10H,1-2H3/b5-3-.
What are the key properties of (5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one?
(5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one has a molecular weight of 184.15 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one is sourced from PubChem (CID 11183026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).