(4Z)-2-methoxy-4-[(5E)-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dimethylfuran-2-ylidene]cyclohexa-2,5-dien-1-one

C20H18O5 — CID 119026203

IUPAC(4Z)-2-methoxy-4-[(5E)-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dimethylfuran-2-ylidene]cyclohexa-2,5-dien-1-one
SMILESCOC1=C/C(=c2\o/c(=C3\C=CC(=O)C(OC)=C3)c(C)c2C)C=CC1=O
InChIInChI=1S/C20H18O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-10H,1-4H3/b19-13-,20-14+
InChIKeyNKXIYJZXMOLPIF-LRVMPXQBSA-N
MW338.36 g/mol
LogP1.54
Rot. Bonds2

About (4Z)-2-methoxy-4-[(5E)-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dimethylfuran-2-ylidene]cyclohexa-2,5-dien-1-one

(4Z)-2-methoxy-4-[(5E)-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dimethylfuran-2-ylidene]cyclohexa-2,5-dien-1-one (PubChem CID 119026203) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is (4Z)-2-methoxy-4-[(5E)-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dimethylfuran-2-ylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4Z)-2-methoxy-4-[(5E)-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dimethylfuran-2-ylidene]cyclohexa-2,5-dien-1-one
PubChem CID119026203
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name(4Z)-2-methoxy-4-[(5E)-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dimethylfuran-2-ylidene]cyclohexa-2,5-dien-1-one
SMILESCOC1=C/C(=c2\o/c(=C3\C=CC(=O)C(OC)=C3)c(C)c2C)C=CC1=O
InChIInChI=1S/C20H18O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-10H,1-4H3/b19-13-,20-14+
InChIKeyNKXIYJZXMOLPIF-LRVMPXQBSA-N
XLogP1.54
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4Z)-2-methoxy-4-[(5E)-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dimethylfuran-2-ylidene]cyclohexa-2,5-dien-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-methoxy-4-[(5E)-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dimethylfuran-2-ylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of (4Z)-2-methoxy-4-[(5E)-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dimethylfuran-2-ylidene]cyclohexa-2,5-dien-1-one (CID 119026203) is (4Z)-2-methoxy-4-[(5E)-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dimethylfuran-2-ylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4Z)-2-methoxy-4-[(5E)-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dimethylfuran-2-ylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for (4Z)-2-methoxy-4-[(5E)-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dimethylfuran-2-ylidene]cyclohexa-2,5-dien-1-one is COC1=C/C(=c2\o/c(=C3\C=CC(=O)C(OC)=C3)c(C)c2C)C=CC1=O.
What is the InChIKey of (4Z)-2-methoxy-4-[(5E)-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dimethylfuran-2-ylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is NKXIYJZXMOLPIF-LRVMPXQBSA-N. The full InChI is InChI=1S/C20H18O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-10H,1-4H3/b19-13-,20-14+.
What are the key properties of (4Z)-2-methoxy-4-[(5E)-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dimethylfuran-2-ylidene]cyclohexa-2,5-dien-1-one?
(4Z)-2-methoxy-4-[(5E)-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dimethylfuran-2-ylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 338.36 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-methoxy-4-[(5E)-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dimethylfuran-2-ylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 119026203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).