10-(2H-chromen-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione

C23H20O5 — CID 91636536

IUPAC10-(2H-chromen-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione
SMILESCC1(C)CC(=O)c2ccc3c(c2O1)C(C1=Cc2ccccc2OC1)CC(=O)O3
InChIInChI=1S/C23H20O5/c1-23(2)11-17(24)15-7-8-19-21(22(15)28-23)16(10-20(25)27-19)14-9-13-5-3-4-6-18(13)26-12-14/h3-9,16H,10-12H2,1-2H3
InChIKeyCDDMSNLEDWCGSL-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.30
Rot. Bonds1

About 10-(2H-chromen-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione

10-(2H-chromen-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione (PubChem CID 91636536) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is 10-(2H-chromen-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione.

Molecular Properties

Compound Name10-(2H-chromen-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione
PubChem CID91636536
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Name10-(2H-chromen-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione
SMILESCC1(C)CC(=O)c2ccc3c(c2O1)C(C1=Cc2ccccc2OC1)CC(=O)O3
InChIInChI=1S/C23H20O5/c1-23(2)11-17(24)15-7-8-19-21(22(15)28-23)16(10-20(25)27-19)14-9-13-5-3-4-6-18(13)26-12-14/h3-9,16H,10-12H2,1-2H3
InChIKeyCDDMSNLEDWCGSL-UHFFFAOYSA-N
XLogP4.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(2H-chromen-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione?
The IUPAC name of 10-(2H-chromen-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione (CID 91636536) is 10-(2H-chromen-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione.
What is the SMILES notation for 10-(2H-chromen-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione?
The canonical SMILES for 10-(2H-chromen-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione is CC1(C)CC(=O)c2ccc3c(c2O1)C(C1=Cc2ccccc2OC1)CC(=O)O3.
What is the InChIKey of 10-(2H-chromen-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione?
The InChIKey is CDDMSNLEDWCGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O5/c1-23(2)11-17(24)15-7-8-19-21(22(15)28-23)16(10-20(25)27-19)14-9-13-5-3-4-6-18(13)26-12-14/h3-9,16H,10-12H2,1-2H3.
What are the key properties of 10-(2H-chromen-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione?
10-(2H-chromen-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione has a molecular weight of 376.41 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2H-chromen-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione is sourced from PubChem (CID 91636536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).