(2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C26H18O6 — CID 110206822

IUPAC(2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESO=C1CC(c2ccc3c(c2)OCCO3)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1
InChIInChI=1S/C26H18O6/c27-23-14-18(16-6-8-19-21(13-16)30-11-10-29-19)24-20(31-23)9-7-17-25(28)22(32-26(17)24)12-15-4-2-1-3-5-15/h1-9,12-13,18H,10-11,14H2/b22-12-
InChIKeyPBEIQOHEVDOHKC-UUYOSTAYSA-N
MW426.42 g/mol
LogP4.51
Rot. Bonds2

About (2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 110206822) has the molecular formula C26H18O6 and a molecular weight of 426.42 g/mol. Its IUPAC name is (2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID110206822
Molecular FormulaC26H18O6
Molecular Weight426.42 g/mol
Exact Mass426.11
IUPAC Name(2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESO=C1CC(c2ccc3c(c2)OCCO3)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1
InChIInChI=1S/C26H18O6/c27-23-14-18(16-6-8-19-21(13-16)30-11-10-29-19)24-20(31-23)9-7-17-25(28)22(32-26(17)24)12-15-4-2-1-3-5-15/h1-9,12-13,18H,10-11,14H2/b22-12-
InChIKeyPBEIQOHEVDOHKC-UUYOSTAYSA-N
XLogP4.51
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(2E)-9-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 176586158
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 162976348
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163090720
(2Z,9S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124879602
(2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124878656
(2Z,9S)-2-benzylidene-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124875185
(2Z,9R)-9-(1,3-benzodioxol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125428918
(2Z,9R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3,4,5-trifluorophenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124876181
(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 110207771
(2E,9S)-2-benzylidene-9-(4-hydroxy-3,5-dimethoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124877012
methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]benzoate
CID 163091151
(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 110206492

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 110206822) is (2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is O=C1CC(c2ccc3c(c2)OCCO3)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1.
What is the InChIKey of (2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is PBEIQOHEVDOHKC-UUYOSTAYSA-N. The full InChI is InChI=1S/C26H18O6/c27-23-14-18(16-6-8-19-21(13-16)30-11-10-29-19)24-20(31-23)9-7-17-25(28)22(32-26(17)24)12-15-4-2-1-3-5-15/h1-9,12-13,18H,10-11,14H2/b22-12-.
What are the key properties of (2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 426.42 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 110206822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).