2-[(Z)-1,2-dihydroxyethenyl]-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one

C19H16O7 — CID 89344353

IUPAC2-[(Z)-1,2-dihydroxyethenyl]-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one
SMILESCOc1cccc2c(=O)c3c(OC)cc4c(c3oc12)CC(/C(O)=C/O)O4
InChIInChI=1S/C19H16O7/c1-23-12-5-3-4-9-17(22)16-15(24-2)7-13-10(19(16)26-18(9)12)6-14(25-13)11(21)8-20/h3-5,7-8,14,20-21H,6H2,1-2H3/b11-8-
InChIKeyGIKAHKCKFVIBJA-FLIBITNWSA-N
MW356.33 g/mol
LogP3.22
Rot. Bonds3

About 2-[(Z)-1,2-dihydroxyethenyl]-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one

2-[(Z)-1,2-dihydroxyethenyl]-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one (PubChem CID 89344353) has the molecular formula C19H16O7 and a molecular weight of 356.33 g/mol. Its IUPAC name is 2-[(Z)-1,2-dihydroxyethenyl]-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one.

Molecular Properties

Compound Name2-[(Z)-1,2-dihydroxyethenyl]-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one
PubChem CID89344353
Molecular FormulaC19H16O7
Molecular Weight356.33 g/mol
Exact Mass356.09
IUPAC Name2-[(Z)-1,2-dihydroxyethenyl]-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one
SMILESCOc1cccc2c(=O)c3c(OC)cc4c(c3oc12)CC(/C(O)=C/O)O4
InChIInChI=1S/C19H16O7/c1-23-12-5-3-4-9-17(22)16-15(24-2)7-13-10(19(16)26-18(9)12)6-14(25-13)11(21)8-20/h3-5,7-8,14,20-21H,6H2,1-2H3/b11-8-
InChIKeyGIKAHKCKFVIBJA-FLIBITNWSA-N
XLogP3.22
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1,2-dihydroxyethenyl]-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one?
The IUPAC name of 2-[(Z)-1,2-dihydroxyethenyl]-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one (CID 89344353) is 2-[(Z)-1,2-dihydroxyethenyl]-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one.
What is the SMILES notation for 2-[(Z)-1,2-dihydroxyethenyl]-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one?
The canonical SMILES for 2-[(Z)-1,2-dihydroxyethenyl]-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one is COc1cccc2c(=O)c3c(OC)cc4c(c3oc12)CC(/C(O)=C/O)O4.
What is the InChIKey of 2-[(Z)-1,2-dihydroxyethenyl]-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one?
The InChIKey is GIKAHKCKFVIBJA-FLIBITNWSA-N. The full InChI is InChI=1S/C19H16O7/c1-23-12-5-3-4-9-17(22)16-15(24-2)7-13-10(19(16)26-18(9)12)6-14(25-13)11(21)8-20/h3-5,7-8,14,20-21H,6H2,1-2H3/b11-8-.
What are the key properties of 2-[(Z)-1,2-dihydroxyethenyl]-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one?
2-[(Z)-1,2-dihydroxyethenyl]-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one has a molecular weight of 356.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1,2-dihydroxyethenyl]-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one is sourced from PubChem (CID 89344353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).