2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C23H14F2O6 — CID 171135209

IUPAC2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESO=C1CC(c2ccco2)c2c(ccc3c2OC(=Cc2ccccc2OC(F)F)C3=O)O1
InChIInChI=1S/C23H14F2O6/c24-23(25)31-15-5-2-1-4-12(15)10-18-21(27)13-7-8-17-20(22(13)30-18)14(11-19(26)29-17)16-6-3-9-28-16/h1-10,14,23H,11H2
InChIKeyBBPDAIDAXNIQNY-UHFFFAOYSA-N
MW424.36 g/mol
LogP4.94
Rot. Bonds4

About 2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 171135209) has the molecular formula C23H14F2O6 and a molecular weight of 424.36 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID171135209
Molecular FormulaC23H14F2O6
Molecular Weight424.36 g/mol
Exact Mass424.08
IUPAC Name2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESO=C1CC(c2ccco2)c2c(ccc3c2OC(=Cc2ccccc2OC(F)F)C3=O)O1
InChIInChI=1S/C23H14F2O6/c24-23(25)31-15-5-2-1-4-12(15)10-18-21(27)13-7-8-17-20(22(13)30-18)14(11-19(26)29-17)16-6-3-9-28-16/h1-10,14,23H,11H2
InChIKeyBBPDAIDAXNIQNY-UHFFFAOYSA-N
XLogP4.94
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.36
LogP ≤ 54.94
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

(2Z,9S)-2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125433228
(2Z,9R)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124876615
(2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124876614
(2Z)-9-[3-(difluoromethoxy)phenyl]-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 102564857
(2Z,9S)-2-[(2,3-dimethoxyphenyl)methylidene]-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99997753
(2Z,9S)-9-(2,4-dimethoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125123364
(2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122258
2-[(2-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163091475
2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163091631
(2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124879691
4-[5-[2-[(2-methoxyphenyl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]furan-2-yl]benzoic acid
CID 163091821
(2Z,9S)-2-(furan-2-ylmethylidene)-9-(3-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124879750

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 171135209) is 2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for 2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for 2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is O=C1CC(c2ccco2)c2c(ccc3c2OC(=Cc2ccccc2OC(F)F)C3=O)O1.
What is the InChIKey of 2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is BBPDAIDAXNIQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2O6/c24-23(25)31-15-5-2-1-4-12(15)10-18-21(27)13-7-8-17-20(22(13)30-18)14(11-19(26)29-17)16-6-3-9-28-16/h1-10,14,23H,11H2.
What are the key properties of 2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 424.36 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 171135209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).