2,2-dimethylpyrano[2,3-f]chromen-8-one

C14H12O3 — CID 53493306

IUPAC2,2-dimethylpyrano[2,3-f]chromen-8-one
SMILESCC1(C)C=Cc2ccc3oc(=O)ccc3c2O1
InChIInChI=1S/C14H12O3/c1-14(2)8-7-9-3-5-11-10(13(9)17-14)4-6-12(15)16-11/h3-8H,1-2H3
InChIKeyVUZFFIGYQBLDCL-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.98
Rot. Bonds

About 2,2-dimethylpyrano[2,3-f]chromen-8-one

2,2-dimethylpyrano[2,3-f]chromen-8-one (PubChem CID 53493306) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2,2-dimethylpyrano[2,3-f]chromen-8-one.

Molecular Properties

Compound Name2,2-dimethylpyrano[2,3-f]chromen-8-one
PubChem CID53493306
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name2,2-dimethylpyrano[2,3-f]chromen-8-one
SMILESCC1(C)C=Cc2ccc3oc(=O)ccc3c2O1
InChIInChI=1S/C14H12O3/c1-14(2)8-7-9-3-5-11-10(13(9)17-14)4-6-12(15)16-11/h3-8H,1-2H3
InChIKeyVUZFFIGYQBLDCL-UHFFFAOYSA-N
XLogP2.98
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4,5,5,9,9-pentamethyl-3,8,14-trioxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12),10,16-pentaen-15-one
CID 163193433
4,5,5,9,9-pentamethyl-3,8,14-trioxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12),10,16-pentaen-15-one
CID 15108310
7,7-dimethylcyclohepta[b]pyran-2-one
CID 142330756
(NE)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methylidene]hydroxylamine
CID 56658714
5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one;2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one
CID 87892347
6-ethoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one
CID 171357519
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one
CID 10825913
2-(2,2-dimethylchromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 134123409
N-(2,2-dimethyl-8-nitrochromen-7-yl)acetamide
CID 139663029
2,2,7-trimethylpyrano[3,2-c]chromen-5-one
CID 13045727
6-[2-(diethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one
CID 155531492

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpyrano[2,3-f]chromen-8-one?
The IUPAC name of 2,2-dimethylpyrano[2,3-f]chromen-8-one (CID 53493306) is 2,2-dimethylpyrano[2,3-f]chromen-8-one.
What is the SMILES notation for 2,2-dimethylpyrano[2,3-f]chromen-8-one?
The canonical SMILES for 2,2-dimethylpyrano[2,3-f]chromen-8-one is CC1(C)C=Cc2ccc3oc(=O)ccc3c2O1.
What is the InChIKey of 2,2-dimethylpyrano[2,3-f]chromen-8-one?
The InChIKey is VUZFFIGYQBLDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-14(2)8-7-9-3-5-11-10(13(9)17-14)4-6-12(15)16-11/h3-8H,1-2H3.
What are the key properties of 2,2-dimethylpyrano[2,3-f]chromen-8-one?
2,2-dimethylpyrano[2,3-f]chromen-8-one has a molecular weight of 228.25 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpyrano[2,3-f]chromen-8-one is sourced from PubChem (CID 53493306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).