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

C26H20O7 — CID 125122258

IUPAC(2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1cc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccccc2OC)C4=O)ccc1O
InChIInChI=1S/C26H20O7/c1-30-19-6-4-3-5-15(19)12-22-25(29)16-8-10-20-24(26(16)33-22)17(13-23(28)32-20)14-7-9-18(27)21(11-14)31-2/h3-12,17,27H,13H2,1-2H3/b22-12-/t17-/m0/s1
InChIKeyGUAZEPXKIYFEMK-SLCIXIPPSA-N
MW444.44 g/mol
LogP4.47
Rot. Bonds4

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

(2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 125122258) has the molecular formula C26H20O7 and a molecular weight of 444.44 g/mol. Its IUPAC name is (2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID125122258
Molecular FormulaC26H20O7
Molecular Weight444.44 g/mol
Exact Mass444.12
IUPAC Name(2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1cc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccccc2OC)C4=O)ccc1O
InChIInChI=1S/C26H20O7/c1-30-19-6-4-3-5-15(19)12-22-25(29)16-8-10-20-24(26(16)33-22)17(13-23(28)32-20)14-7-9-18(27)21(11-14)31-2/h3-12,17,27H,13H2,1-2H3/b22-12-/t17-/m0/s1
InChIKeyGUAZEPXKIYFEMK-SLCIXIPPSA-N
XLogP4.47
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-methoxy-4-[(2Z,9S)-2-[(2-methoxyphenyl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetate
CID 126419069
(2Z,9S)-2-benzylidene-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124875185
(2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 102565175
(2Z,9S)-9-(2,4-dimethoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125123364
(2E,9S)-2-benzylidene-9-(4-hydroxy-3,5-dimethoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124877012
(2Z,9R)-2-[(2,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125429256
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 127252728
2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 162880920
4-[2-[(2,3-dimethoxyphenyl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]benzoic acid
CID 163018952
(2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124879691
(2Z,9S)-2-[(2,3-dimethoxyphenyl)methylidene]-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99997753
2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163091631

Frequently Asked Questions

What is the IUPAC name of (2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 125122258) is (2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1cc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccccc2OC)C4=O)ccc1O.
What is the InChIKey of (2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is GUAZEPXKIYFEMK-SLCIXIPPSA-N. The full InChI is InChI=1S/C26H20O7/c1-30-19-6-4-3-5-15(19)12-22-25(29)16-8-10-20-24(26(16)33-22)17(13-23(28)32-20)14-7-9-18(27)21(11-14)31-2/h3-12,17,27H,13H2,1-2H3/b22-12-/t17-/m0/s1.
What are the key properties of (2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 444.44 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 125122258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).