(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C27H22O8 — CID 127252728

IUPAC(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(C2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccc(OC)c(OC)c2)C4=O)cc1O
InChIInChI=1S/C27H22O8/c1-31-19-8-5-15(12-18(19)28)17-13-24(29)34-21-9-6-16-26(30)23(35-27(16)25(17)21)11-14-4-7-20(32-2)22(10-14)33-3/h4-12,17,28H,13H2,1-3H3/b23-11-
InChIKeyVHQOHKAOCSAKBZ-KSEXSDGBSA-N
MW474.47 g/mol
LogP4.48
Rot. Bonds5

About (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 127252728) has the molecular formula C27H22O8 and a molecular weight of 474.47 g/mol. Its IUPAC name is (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID127252728
Molecular FormulaC27H22O8
Molecular Weight474.47 g/mol
Exact Mass474.13
IUPAC Name(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(C2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccc(OC)c(OC)c2)C4=O)cc1O
InChIInChI=1S/C27H22O8/c1-31-19-8-5-15(12-18(19)28)17-13-24(29)34-21-9-6-16-26(30)23(35-27(16)25(17)21)11-14-4-7-20(32-2)22(10-14)33-3/h4-12,17,28H,13H2,1-3H3/b23-11-
InChIKeyVHQOHKAOCSAKBZ-KSEXSDGBSA-N
XLogP4.48
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 127252728) is (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc(C2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccc(OC)c(OC)c2)C4=O)cc1O.
What is the InChIKey of (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is VHQOHKAOCSAKBZ-KSEXSDGBSA-N. The full InChI is InChI=1S/C27H22O8/c1-31-19-8-5-15(12-18(19)28)17-13-24(29)34-21-9-6-16-26(30)23(35-27(16)25(17)21)11-14-4-7-20(32-2)22(10-14)33-3/h4-12,17,28H,13H2,1-3H3/b23-11-.
What are the key properties of (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 474.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 127252728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).