(5Z)-4-hydroxy-3-(4-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]furan-2-one

C21H20O7 — CID 54722214

IUPAC(5Z)-4-hydroxy-3-(4-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]furan-2-one
SMILESCOc1ccc(C2=C(O)/C(=C/c3cc(OC)c(OC)cc3OC)OC2=O)cc1
InChIInChI=1S/C21H20O7/c1-24-14-7-5-12(6-8-14)19-20(22)18(28-21(19)23)10-13-9-16(26-3)17(27-4)11-15(13)25-2/h5-11,22H,1-4H3/b18-10-
InChIKeyMRYJFKUAHXJPEI-ZDLGFXPLSA-N
MW384.38 g/mol
LogP3.59
Rot. Bonds6

About (5Z)-4-hydroxy-3-(4-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]furan-2-one

(5Z)-4-hydroxy-3-(4-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]furan-2-one (PubChem CID 54722214) has the molecular formula C21H20O7 and a molecular weight of 384.38 g/mol. Its IUPAC name is (5Z)-4-hydroxy-3-(4-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-4-hydroxy-3-(4-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]furan-2-one
PubChem CID54722214
Molecular FormulaC21H20O7
Molecular Weight384.38 g/mol
Exact Mass384.12
IUPAC Name(5Z)-4-hydroxy-3-(4-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]furan-2-one
SMILESCOc1ccc(C2=C(O)/C(=C/c3cc(OC)c(OC)cc3OC)OC2=O)cc1
InChIInChI=1S/C21H20O7/c1-24-14-7-5-12(6-8-14)19-20(22)18(28-21(19)23)10-13-9-16(26-3)17(27-4)11-15(13)25-2/h5-11,22H,1-4H3/b18-10-
InChIKeyMRYJFKUAHXJPEI-ZDLGFXPLSA-N
XLogP3.59
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)furan-2-one
CID 160610749
(2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 15965446
(2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide
CID 54737471
[(2Z)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] methanesulfonate
CID 2002858
2-(3,4-dimethoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4132107
[(2E)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 2,2-dimethylpropanoate
CID 2009795
(4Z)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 9312652
6-(2-methylprop-2-enoxy)-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 3830880
methyl (2S)-2-[[3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]propanoate
CID 7001734
(4E)-2-(4-chlorophenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1329768
[3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] cyclopropanecarboxylate
CID 3761439
3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione
CID 583985

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-hydroxy-3-(4-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]furan-2-one?
The IUPAC name of (5Z)-4-hydroxy-3-(4-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]furan-2-one (CID 54722214) is (5Z)-4-hydroxy-3-(4-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]furan-2-one.
What is the SMILES notation for (5Z)-4-hydroxy-3-(4-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]furan-2-one?
The canonical SMILES for (5Z)-4-hydroxy-3-(4-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]furan-2-one is COc1ccc(C2=C(O)/C(=C/c3cc(OC)c(OC)cc3OC)OC2=O)cc1.
What is the InChIKey of (5Z)-4-hydroxy-3-(4-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]furan-2-one?
The InChIKey is MRYJFKUAHXJPEI-ZDLGFXPLSA-N. The full InChI is InChI=1S/C21H20O7/c1-24-14-7-5-12(6-8-14)19-20(22)18(28-21(19)23)10-13-9-16(26-3)17(27-4)11-15(13)25-2/h5-11,22H,1-4H3/b18-10-.
What are the key properties of (5Z)-4-hydroxy-3-(4-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]furan-2-one?
(5Z)-4-hydroxy-3-(4-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]furan-2-one has a molecular weight of 384.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-hydroxy-3-(4-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]furan-2-one is sourced from PubChem (CID 54722214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).