(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one

C19H18O6 — CID 10382733

IUPAC(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one
SMILESCOc1ccc(/C=C2\Oc3ccc(OC)c(OC)c3C2=O)cc1OC
InChIInChI=1S/C19H18O6/c1-21-12-6-5-11(9-15(12)23-3)10-16-18(20)17-13(25-16)7-8-14(22-2)19(17)24-4/h5-10H,1-4H3/b16-10-
InChIKeySNCXUCKOYNGLNB-YBEGLDIGSA-N
MW342.35 g/mol
LogP3.34
Rot. Bonds5

About (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one

(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one (PubChem CID 10382733) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one
PubChem CID10382733
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one
SMILESCOc1ccc(/C=C2\Oc3ccc(OC)c(OC)c3C2=O)cc1OC
InChIInChI=1S/C19H18O6/c1-21-12-6-5-11(9-15(12)23-3)10-16-18(20)17-13(25-16)7-8-14(22-2)19(17)24-4/h5-10H,1-4H3/b16-10-
InChIKeySNCXUCKOYNGLNB-YBEGLDIGSA-N
XLogP3.34
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one
CID 10315518
8-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
CID 6618517
(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroxychromen-4-one
CID 162679170
methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 157455661
[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] benzenesulfonate
CID 2027424
7-methyl-2,4-bis[(2,3,4-trimethoxyphenyl)methylidene]-1,5-benzodioxepin-3-one
CID 123907746
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one
CID 10860799
5-chloro-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-4,6-dimethyl-1-benzofuran-3-one
CID 171131542
(2Z)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-6-hydroxy-1-benzofuran-3-one
CID 17476607
(2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
CID 11949446
2-[(3,4-dimethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 5096301
2-[[2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetic acid
CID 4837017

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one (CID 10382733) is (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one is COc1ccc(/C=C2\Oc3ccc(OC)c(OC)c3C2=O)cc1OC.
What is the InChIKey of (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one?
The InChIKey is SNCXUCKOYNGLNB-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H18O6/c1-21-12-6-5-11(9-15(12)23-3)10-16-18(20)17-13(25-16)7-8-14(22-2)19(17)24-4/h5-10H,1-4H3/b16-10-.
What are the key properties of (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one?
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one has a molecular weight of 342.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one is sourced from PubChem (CID 10382733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).