9-(2-propan-2-yloxyphenyl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C26H21NO5 — CID 162941474

IUPAC9-(2-propan-2-yloxyphenyl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCC(C)Oc1ccccc1C1CC(=O)Oc2ccc3c(c21)OC(=Cc1cccnc1)C3=O
InChIInChI=1S/C26H21NO5/c1-15(2)30-20-8-4-3-7-17(20)19-13-23(28)31-21-10-9-18-25(29)22(32-26(18)24(19)21)12-16-6-5-11-27-14-16/h3-12,14-15,19H,13H2,1-2H3
InChIKeyQXEUUWXYDRATTF-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.93
Rot. Bonds4

About 9-(2-propan-2-yloxyphenyl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

9-(2-propan-2-yloxyphenyl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 162941474) has the molecular formula C26H21NO5 and a molecular weight of 427.46 g/mol. Its IUPAC name is 9-(2-propan-2-yloxyphenyl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name9-(2-propan-2-yloxyphenyl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID162941474
Molecular FormulaC26H21NO5
Molecular Weight427.46 g/mol
Exact Mass427.14
IUPAC Name9-(2-propan-2-yloxyphenyl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCC(C)Oc1ccccc1C1CC(=O)Oc2ccc3c(c21)OC(=Cc1cccnc1)C3=O
InChIInChI=1S/C26H21NO5/c1-15(2)30-20-8-4-3-7-17(20)19-13-23(28)31-21-10-9-18-25(29)22(32-26(18)24(19)21)12-16-6-5-11-27-14-16/h3-12,14-15,19H,13H2,1-2H3
InChIKeyQXEUUWXYDRATTF-UHFFFAOYSA-N
XLogP4.93
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.93
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

2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 162879710
9-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 162981361
(2Z,9R)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99999441
(2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 102564953
(2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99996616
(2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124878656
2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide
CID 102564674
(2Z,9S)-2-[(2,3-dimethoxyphenyl)methylidene]-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99997753
2-benzylidene-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 162945458
(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
2-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetic acid
CID 91638116
(2Z,9R)-9-(4-oxochromen-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125432546

Frequently Asked Questions

What is the IUPAC name of 9-(2-propan-2-yloxyphenyl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of 9-(2-propan-2-yloxyphenyl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 162941474) is 9-(2-propan-2-yloxyphenyl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for 9-(2-propan-2-yloxyphenyl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for 9-(2-propan-2-yloxyphenyl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is CC(C)Oc1ccccc1C1CC(=O)Oc2ccc3c(c21)OC(=Cc1cccnc1)C3=O.
What is the InChIKey of 9-(2-propan-2-yloxyphenyl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is QXEUUWXYDRATTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO5/c1-15(2)30-20-8-4-3-7-17(20)19-13-23(28)31-21-10-9-18-25(29)22(32-26(18)24(19)21)12-16-6-5-11-27-14-16/h3-12,14-15,19H,13H2,1-2H3.
What are the key properties of 9-(2-propan-2-yloxyphenyl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
9-(2-propan-2-yloxyphenyl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 427.46 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-propan-2-yloxyphenyl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 162941474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).