(2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C24H18O7 — CID 124879691

IUPAC(2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccco2)C4=O)cc1OC
InChIInChI=1S/C24H18O7/c1-27-17-7-5-13(10-19(17)28-2)16-12-21(25)30-18-8-6-15-23(26)20(31-24(15)22(16)18)11-14-4-3-9-29-14/h3-11,16H,12H2,1-2H3/b20-11-/t16-/m0/s1
InChIKeyVMEIMXFVXLAXGI-VBNMEBLOSA-N
MW418.40 g/mol
LogP4.35
Rot. Bonds4

About (2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 124879691) has the molecular formula C24H18O7 and a molecular weight of 418.40 g/mol. Its IUPAC name is (2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID124879691
Molecular FormulaC24H18O7
Molecular Weight418.40 g/mol
Exact Mass418.11
IUPAC Name(2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccco2)C4=O)cc1OC
InChIInChI=1S/C24H18O7/c1-27-17-7-5-13(10-19(17)28-2)16-12-21(25)30-18-8-6-15-23(26)20(31-24(15)22(16)18)11-14-4-3-9-29-14/h3-11,16H,12H2,1-2H3/b20-11-/t16-/m0/s1
InChIKeyVMEIMXFVXLAXGI-VBNMEBLOSA-N
XLogP4.35
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_I(6)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 162880920
(2Z)-2-(furan-2-ylmethylidene)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 110208089
(2Z,9S)-9-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-methoxyphenyl]-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124877511
(2Z,9S)-2-(furan-2-ylmethylidene)-9-(3-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124879750
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 127252728
(2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122258
(2Z,9S)-2-benzylidene-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124875185
(2Z,9R)-2-[(4-methoxyphenyl)methylidene]-9-(3-methoxy-4-propan-2-yloxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99995987
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 127252858
(2Z,9R)-2-benzylidene-9-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124879736
(2E,9S)-2-benzylidene-9-(4-hydroxy-3,5-dimethoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124877012
(2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 102565175

Frequently Asked Questions

What is the IUPAC name of (2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 124879691) is (2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccco2)C4=O)cc1OC.
What is the InChIKey of (2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is VMEIMXFVXLAXGI-VBNMEBLOSA-N. The full InChI is InChI=1S/C24H18O7/c1-27-17-7-5-13(10-19(17)28-2)16-12-21(25)30-18-8-6-15-23(26)20(31-24(15)22(16)18)11-14-4-3-9-29-14/h3-11,16H,12H2,1-2H3/b20-11-/t16-/m0/s1.
What are the key properties of (2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 418.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 124879691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).